(function(ob,pb,qb,rb,F,sb,V,I,da,Q,L,z,tb,Z,ub,ha,O,C,$a,la,Ja,vb,lb,wb,pa,Da,Ka,X,xb,yb,Ea,zb,mb,Ab,Bb,La,Cb,Db,Eb,Fb,Gb,Hb,Ib,Jb,Kb,Lb,Mb,Nb,Ob,Pb,Qb,Rb,Sb,Tb,Ub,d,m,nb){V("J.adapter.smarter");da(["JS.Symmetry","JU.P3","$.SB"],"J.adapter.smarter.XtalSymmetry","java.util.Hashtable JU.A4 $.BS $.Lst $.M3 $.M4 $.P3i $.PT $.V3 J.adapter.smarter.Atom JS.SpaceGroup $.SymmetryOperation $.UnitCell JU.BSUtil $.Logger $.SimpleUnitCell".split(" "),function(){var b=L(function(){this.acr=null;this.applySymmetryToBonds=
!1;this.baseSymmetry=this.asc=null;this.bondCount0=0;this.bondsFound=null;this.crystalReaderLatticeOpsOnly=this.checkNearAtoms=this.checkAll=this.centroidPacked=!1;this.disorderMap=null;this.disorderMapMax=0;this.doCentroidUnitCell=!1;this.doNormalize=!0;this.doPackUnitCell=!1;this.filterSymop=null;this.firstAtom=0;this.latticeCells=null;this.latticeOp=0;this.mTemp=this.maxXYZ0=this.minXYZ0=this.maxXYZ=this.minXYZ=this.mident=null;this.ndims=3;this.packingRange=this.noSymmetryCount=0;this.ptTemp=
this.ptOffset=null;this.rmaxz=this.rmaxy=this.rmaxx=this.rminz=this.rminy=this.rminx=0;this.symmetry=null;this.symmetryRange=0;this.unitCellTranslations=this.unitCellParams=this.trajectoryUnitCells=null;Q(this,arguments)},J.adapter.smarter,"XtalSymmetry",null);la(b,function(){this.bondsFound=new JU.SB;this.ptOffset=new JU.P3});Z(b,function(){});d(b,"addRotatedTensor",function(a,c,f,e,u){null==this.ptTemp&&(this.ptTemp=new JU.P3,this.mTemp=new JU.M3);return a.addTensor(this.acr.getInterface("JU.Tensor").setFromEigenVectors(u.rotateAxes(f,
c.eigenVectors,this.ptTemp,this.mTemp),c.eigenValues,c.isIsotropic?"iso":c.type,c.id,c),null,e)},"J.adapter.smarter.Atom,JU.Tensor,~N,~B,J.adapter.smarter.XtalSymmetry.FileSymmetry");d(b,"applySymmetryBio",function(a,c,f){var e=a.get("biomts"),u=e.size();null==this.mident&&(this.mident=new JU.M4,this.mident.setIdentity());this.acr.lstNCS=null;this.setLatticeCells();var b=null!=this.latticeCells&&0!=this.latticeCells[0]?O(3,0):null;if(null!=b)for(var h=0;3>h;h++)b[h]=this.latticeCells[h];this.latticeCells=
null;var k="",b=this.acr.getFilterWithCase("BMCHAINS"),l=-1;if(null!=b&&0<(b=b.trim()).length)"="==b.charAt(0)&&(b=b.substring(1).trim()),b.equals("_")?(k="_",l=0):(l=0==b.length?0:JU.PT.parseInt(b),-2147483648==l&&(l=-b.charAt(0).charCodeAt(0)));var j=0<=f.indexOf("BYCHAIN")?1:0<=f.indexOf("BYSYMOP")?2:0;this.doNormalize=!1;var d=a.get("chains");(this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry).setSpaceGroup(this.doNormalize);this.addSpaceGroupOperation("x,y,z",!1);b=a.get("name");
this.setAtomSetSpaceGroupName(this.acr.sgName=b);this.applySymmetryToBonds=c;this.bondCount0=this.asc.bondCount;this.firstAtom=this.asc.getLastAtomSetAtomIndex();var b=this.asc.ac,n=new java.util.Hashtable,p=0,B=this.asc.atoms;c=this.bondCount0>this.asc.bondIndex0&&c;switch(j){case 1:for(h=b;--h>=this.firstAtom;){var s=Integer.$valueOf(B[h].chainID),r=n.get(s);null==r&&(p++,n.put(s,r=new JU.BS));r.set(h)}this.asc.bsAtoms=new JU.BS;for(h=0;h<p;h++)this.asc.bsAtoms.set(b+h),c=new J.adapter.smarter.Atom,
c.set(0,0,0),c.radius=16,this.asc.addAtom(c);for(var t=0,v,n=n.entrySet().iterator();n.hasNext()&&((v=n.next())||1);){c=B[b+t++];r=v.getValue();for(h=r.nextSetBit(0);0<=h;h=r.nextSetBit(h+1))c.add(B[h]);c.scale(1/r.cardinality());c.atomName="Pt"+t;c.chainID=v.getKey().intValue()}this.firstAtom=b;b+=p;c=!1;break;case 2:this.asc.bsAtoms=new JU.BS;this.asc.bsAtoms.set(b);c=B[b]=new J.adapter.smarter.Atom;c.set(0,0,0);for(h=b;--h>=this.firstAtom;)c.add(B[h]);c.scale(1/(b-this.firstAtom));c.atomName="Pt";
c.radius=16;this.asc.addAtom(c);this.firstAtom=b++;c=!1}p=a.get("asemblyIdAtoms");0<=f.indexOf("#<")&&(u=Math.min(u,JU.PT.parseInt(f.substring(f.indexOf("#<")+2))-1),f=JU.PT.rep(f,"#<","_<"));h=0;for(n=this.firstAtom;n<b;n++)B[n].bsSymmetry=new JU.BS,a=B[n].chainID,a>h&&(h=a);a=this.asc.bsAtoms;r=c?O(this.asc.ac,0):null;for(t=null==d?1:0;t<u;t++){if(0<=f.indexOf("!#")){if(0<=f.indexOf("!#"+(t+1)+";"))continue}else if(0<=f.indexOf("#")&&0>f.indexOf("#"+(t+1)+";"))continue;var m=e.get(t),x=!m.equals(this.mident),
D=null==d?null:d.get(t);if(null!=D&&null!=p){a=new JU.BS;for(n=p.entrySet().iterator();n.hasNext()&&((v=n.next())||1);)0<=D.indexOf(":"+v.getKey()+";")&&a.or(v.getValue());null!=this.asc.bsAtoms&&a.and(this.asc.bsAtoms);D=null}for(var w=-1,ea=!1,n=this.firstAtom;n<b;n++){if(null!=a)ea=!a.get(n);else if(null!=D&&(s=B[n].chainID)!=w)ea=0>D.indexOf(":"+this.acr.vwr.getChainIDStr(w=s)+";");if(!ea)try{var y=B[n].atomSite,H;c&&(r[y]=this.asc.ac);H=this.asc.newCloneAtom(B[n]);H.bondingRadius=t;this.asc.atomSymbolicMap.put(""+
H.atomSerial,H);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(H.index);H.atomSite=y;x&&m.rotTrans(H);H.bsSymmetry=JU.BSUtil.newAndSetBit(t)}catch(z){if(ha(z,Exception))this.asc.errorMessage="appendAtomCollection error: "+z;else throw z;}}x&&this.symmetry.addBioMoleculeOperation(m,!1);if(c)for(m=this.asc.bondIndex0;m<this.bondCount0;m++)n=this.asc.bonds[m],this.asc.addNewBondWithOrder(r[B[n.atomIndex1].atomSite],r[B[n.atomIndex2].atomSite],n.order)}if(null!=d){null==this.asc.bsAtoms&&(this.asc.bsAtoms=
JU.BSUtil.newBitSet2(0,this.asc.ac));this.asc.bsAtoms.clearBits(this.firstAtom,b);if(0==j){if(-1!=l){s=(e=0!=l)?new JU.BS:null;B=this.asc.atoms;y=0;e&&(y=0>l?Math.max(-l,h+1):Math.max(h+l,65),s.setBits(0,y-1),s.setBits(91,97),s.setBits(123,200));j=1==this.asc.structureCount?this.asc.structures[0].bsAll:null;d=new java.util.Hashtable;H=new java.util.Hashtable;n=null==j?null:new java.util.Hashtable;p=null;h=b;for(r=this.asc.ac;h<r;h++)t=B[h].chainID,x=B[h].bsSymmetry.nextSetBit(0),l=this.acr.vwr.getChainIDStr(t),
m=0==x?l:l+k+x,f=d.get(m),null==f&&(e&&0!=x&&(x=200>y?s.nextClearBit(y):200,200>x&&(s.set(x),f=Integer.$valueOf(this.acr.vwr.getChainID(""+String.fromCharCode(x),!0)),y=x)),null==f&&(f=Integer.$valueOf(this.acr.vwr.getChainID(m,!0))),m!==l&&(H.put(f,Integer.$valueOf(t)),null!=j&&(null!=p&&(p[1]=h),n.put(f,p=O(-1,[h,r])))),d.put(m,f)),B[h].chainID=f.intValue();if(0<this.asc.structureCount){k=this.asc.structures;B=this.asc.structureCount;for(n=H.entrySet().iterator();n.hasNext()&&((v=n.next())||1);){f=
v.getKey();f=f.intValue();l=v.getValue().intValue();for(h=0;h<B;h++)e=k[h],null==e.bsAll&&(e.startChainID==e.endChainID?e.startChainID==l&&(e=e.clone(),e.startChainID=e.endChainID=f,this.asc.addStructure(e)):System.err.println("XtalSymmetry not processing biomt chain structure "+this.acr.vwr.getChainIDStr(l)+" to "+this.acr.vwr.getChainIDStr(f)))}}}v=this.asc.getAtomSetAuxiliaryInfoValue(-1,"PDB_CONECT_bonds");if(!c&&null!=v)for(h=v.size();0<=--h;)if(n=v.get(h),c=this.asc.getAtomFromName(""+n[0]),
k=this.asc.getAtomFromName(""+n[1]),null!=c&&null!=k&&c.bondingRadius!=k.bondingRadius&&(null==a||a.get(c.index)&&a.get(k.index))&&25<c.distanceSquared(k))v.removeItemAt(h),System.out.println("XtalSymmetry: long interchain bond removed for @"+c.atomSerial+"-@"+k.atomSerial)}h=b;for(r=this.asc.ac;h<r;h++)this.asc.atoms[h].bondingRadius=NaN}this.noSymmetryCount=b-this.firstAtom;this.finalizeSymmetry(this.symmetry);this.setCurrentModelInfo(u,null,null);this.reset()},"java.util.Map,~B,~S");d(b,"getBaseSymmetry",
function(){return null==this.baseSymmetry?this.symmetry:this.baseSymmetry});d(b,"getOverallSpan",function(){return null==this.maxXYZ0?JU.V3.new3(this.maxXYZ.x-this.minXYZ.x,this.maxXYZ.y-this.minXYZ.y,this.maxXYZ.z-this.minXYZ.z):JU.V3.newVsub(this.maxXYZ0,this.minXYZ0)});d(b,"getSymmetry",function(){return null==this.symmetry?this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry:this.symmetry});d(b,"isWithinCell",function(a,c,f,e,u,b,h,k,l){return c.x>f-l&&c.x<e+l&&(2>a||c.y>u-l&&c.y<b+l)&&
(3>a||c.z>h-l&&c.z<k+l)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");d(b,"set",function(a){this.acr=a;this.asc=a.asc;this.getSymmetry();return this},"J.adapter.smarter.AtomSetCollectionReader");d(b,"setLatticeParameter",function(a){this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.setLattice(a)},"~N");d(b,"addSpaceGroupOperation",function(a,c){this.symmetry.setSpaceGroup(this.doNormalize);c&&1==this.symmetry.getSpaceGroupOperationCount()&&this.setLatticeCells();return this.symmetry.addSpaceGroupOperation(a,
0)},"~S,~B");d(b,"setSymmetryFromAuditBlock",function(a){return this.symmetry=a},"J.adapter.smarter.XtalSymmetry.FileSymmetry");d(b,"applySymmetryFromReader",function(a){this.asc.setCoordinatesAreFractional(this.acr.iHaveFractionalCoordinates);this.setAtomSetSpaceGroupName(this.acr.sgName);this.symmetryRange=this.acr.symmetryRange;this.asc.setInfo("symmetryRange",Float.$valueOf(this.symmetryRange));if(this.acr.doConvertToFractional||this.acr.fileCoordinatesAreFractional){this.setLatticeCells();var c=
!0;if(this.acr.ignoreFileSpaceGroupName||!this.acr.iHaveSymmetryOperators){if(!this.acr.merging||null==a)a=new J.adapter.smarter.XtalSymmetry.FileSymmetry;0==this.acr.unitCellParams[0]&&0==this.acr.unitCellParams[2]&&JU.SimpleUnitCell.fillParams(null,null,null,this.acr.unitCellParams);c=a.createSpaceGroup(this.acr.desiredSpaceGroupIndex,0<=this.acr.sgName.indexOf("!")?"P1":this.acr.sgName,this.acr.unitCellParams,this.acr.modDim)}else this.acr.doPreSymmetry(c),a=null;this.packingRange=this.acr.getPackingRangeValue(0);
c?(null!=a&&this.getSymmetry().setSpaceGroupTo(a.getSpaceGroup()),this.applySymmetryLattice(),null!=a&&null==this.filterSymop&&this.setAtomSetSpaceGroupName(a.getSpaceGroupName())):this.setUnitCellSafely()}if(this.acr.iHaveFractionalCoordinates&&this.acr.merging&&null!=a){for(var c=this.asc.atoms,f=this.asc.getLastAtomSetAtomIndex(),e=this.asc.ac;f<e;f++)a.toCartesian(c[f],!0);this.asc.setCoordinatesAreFractional(!1);this.acr.addVibrations=!1}return this.symmetry},"J.adapter.smarter.XtalSymmetry.FileSymmetry");
d(b,"finalizeMoments",function(a,c){this.getSymmetry().preSymmetryFinalizeMoments(this.acr,this.asc,a,c)},"~S,~S");d(b,"setMagneticMoments",function(a){return 0>this.asc.iSet||!this.acr.vibsFractional?0:this.getBaseSymmetry().postSymmetrySetMagneticMoments(this.asc,a)},"~B");d(b,"setTensors",function(){for(var a=this.asc.ac,c=this.asc.getLastAtomSetAtomIndex();c<a;c++){var f=this.asc.atoms[c];null!=f.anisoBorU&&(f.addTensor(this.symmetry.getTensor(this.acr.vwr,f.anisoBorU),null,!1),Float.isNaN(f.bfactor)&&
(f.bfactor=100*f.anisoBorU[7]),f.anisoBorU=null)}});d(b,"adjustRangeMinMax",function(a){var c=new JU.P3,f=new JU.P3,e=new JU.P3;this.acr.forcePacked&&(c.setT(a[1]),f.setT(a[2]),e.setT(a[3]),c.scale(this.packingRange),f.scale(this.packingRange),e.scale(this.packingRange));a[0].scaleAdd2(this.minXYZ.x,a[1],a[0]);a[0].scaleAdd2(this.minXYZ.y,a[2],a[0]);a[0].scaleAdd2(this.minXYZ.z,a[3],a[0]);a[0].sub(c);a[0].sub(f);a[0].sub(e);var u=JU.P3.newP(a[0]);this.symmetry.toFractional(u,!0);this.setSymmetryMinMax(u);
a[1].scale(this.maxXYZ.x-this.minXYZ.x);a[2].scale(this.maxXYZ.y-this.minXYZ.y);a[3].scale(this.maxXYZ.z-this.minXYZ.z);a[1].scaleAdd2(2,c,a[1]);a[2].scaleAdd2(2,f,a[2]);a[3].scaleAdd2(2,e,a[3]);for(c=0;3>c;c++)for(f=c+1;4>f;f++)u.add2(a[c],a[f]),0!=c&&u.add(a[0]),this.symmetry.toFractional(u,!1),this.setSymmetryMinMax(u);this.symmetry.toCartesian(u,!1);u.add(a[1]);this.symmetry.toFractional(u,!1);this.setSymmetryMinMax(u);this.minXYZ=JU.P3i.new3(F(Math.min(0,Math.floor(this.rminx+0.001))),F(Math.min(0,
Math.floor(this.rminy+0.001))),F(Math.min(0,Math.floor(this.rminz+0.001))));this.maxXYZ=JU.P3i.new3(F(Math.max(1,Math.ceil(this.rmaxx-0.001))),F(Math.max(1,Math.ceil(this.rmaxy-0.001))),F(Math.max(1,Math.ceil(this.rmaxz-0.001))))},"~A");d(b,"applyAllSymmetry",function(a,c){if(!(0==this.asc.ac||null!=c&&c.isEmpty())){var f=this.noSymmetryCount=0<this.asc.baseSymmetryAtomCount?this.asc.baseSymmetryAtomCount:null==c?this.asc.getLastAtomSetAtomCount():this.asc.ac-c.nextSetBit(this.asc.getLastAtomSetAtomIndex());
this.asc.setTensors();this.applySymmetryToBonds=this.acr.applySymmetryToBonds;this.doPackUnitCell=this.acr.doPackUnitCell&&!this.applySymmetryToBonds;this.bondCount0=this.asc.bondCount;this.ndims=JU.SimpleUnitCell.getDimensionFromParams(this.acr.unitCellParams);this.finalizeSymmetry(this.symmetry);var e=this.symmetry.getSpaceGroupOperationCount(),u=null==this.acr.thisBiomolecule?null:new JU.BS;this.checkNearAtoms=this.acr.checkNearAtoms||null!=u;JU.SimpleUnitCell.setMinMaxLatticeParameters(this.ndims,
this.minXYZ,this.maxXYZ,0);this.latticeOp=this.symmetry.getLatticeOp();this.crystalReaderLatticeOpsOnly=this.asc.crystalReaderLatticeOpsOnly&&0<=this.latticeOp;this.doCentroidUnitCell&&this.asc.setInfo("centroidMinMax",O(-1,[this.minXYZ.x,this.minXYZ.y,this.minXYZ.z,this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z,this.centroidPacked?z(100*this.packingRange):0]));if(this.doCentroidUnitCell||this.acr.doPackUnitCell||0!=this.symmetryRange&&1==this.maxXYZ.x-this.minXYZ.x&&1==this.maxXYZ.y-this.minXYZ.y&&1==
this.maxXYZ.z-this.minXYZ.z)switch(this.minXYZ0=JU.P3.new3(this.minXYZ.x,this.minXYZ.y,this.minXYZ.z),this.maxXYZ0=JU.P3.new3(this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z),null!=a&&(a.setMinMax0(this.minXYZ0,this.maxXYZ0),this.minXYZ.set(z(this.minXYZ0.x),z(this.minXYZ0.y),z(this.minXYZ0.z)),this.maxXYZ.set(z(this.maxXYZ0.x),z(this.maxXYZ0.y),z(this.maxXYZ0.z))),this.ndims){case 3:this.minXYZ.z--,this.maxXYZ.z++;case 2:this.minXYZ.y--,this.maxXYZ.y++;case 1:this.minXYZ.x--,this.maxXYZ.x++}for(var b=
(this.maxXYZ.x-this.minXYZ.x)*(this.maxXYZ.y-this.minXYZ.y)*(this.maxXYZ.z-this.minXYZ.z),h=f*(this.crystalReaderLatticeOpsOnly?4:e),h=this.checkNearAtoms||null!=this.acr.thisBiomolecule?h*b:0<this.symmetryRange?h:1,k=Array(h),l=this.asc.atoms,j=0;j<f;j++)l[this.firstAtom+j].bsSymmetry=JU.BS.newN(e*(b+1));var d=0;this.unitCellTranslations=Array(b);var n=0,p=0,B=Math.abs(this.symmetryRange),s=0!=this.symmetryRange,r=0>this.symmetryRange,t=0<this.symmetryRange;s&&(this.rminx=this.rminy=this.rminz=3.4028235E38,
this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38);var m=this.symmetry,A=m;this.checkAll=this.crystalReaderLatticeOpsOnly||1==this.asc.atomSetCount&&this.checkNearAtoms&&0<=this.latticeOp;var x=this.acr.lstNCS;if(null!=x&&0==x.get(0).m33){for(var D=m.getSpaceGroupOperationCount(),w=x.size(),j=w;0<=--j;){var ea=x.get(j);ea.m33=1;m.toFractionalM(ea)}for(j=1;j<D;j++)for(var y=m.getSpaceGroupOperation(j),H=0;H<w;H++)ea=JU.M4.newM4(x.get(H)),ea.mul2(y,ea),this.doNormalize&&0<this.noSymmetryCount&&JS.SymmetryOperation.normalizeOperationToCentroid(3,
ea,l,this.firstAtom,this.noSymmetryCount),x.addLast(ea)}j=null;x=m.getSpaceGroupOperation(0);this.doPackUnitCell&&(j=new JU.P3,this.ptOffset.set(0,0,0));D=this.bondCount0>this.asc.bondIndex0&&this.applySymmetryToBonds?O(f,0):null;b=O(b,0);for(w=this.minXYZ.x;w<this.maxXYZ.x;w++)for(ea=this.minXYZ.y;ea<this.maxXYZ.y;ea++)for(y=this.minXYZ.z;y<this.maxXYZ.z;y++)if(this.unitCellTranslations[n]=JU.V3.new3(w,ea,y),b[n++]=555+100*w+10*ea+y,!(0!=w||0!=ea||0!=y||0==k.length)){for(d=0;d<f;d++){p=l[this.firstAtom+
d];null!=a&&(m=a.getAtomSymmetry(p,this.symmetry),m!==A&&(0==m.getSpaceGroupOperationCount()&&this.finalizeSymmetry(m),A=m,x=m.getSpaceGroupOperation(0)));H=JU.P3.newP(p);x.rotTrans(H);m.toCartesian(H,!1);if(this.doPackUnitCell)if(m.toUnitCellRnd(H,this.ptOffset),j.setT(H),m.toFractional(j,!1),this.acr.fixFloatPt(j,1E5),null==c)p.setT(j);else if(1E-4>p.distance(j))c.set(p.index);else{c.clear(p.index);continue}null!=c&&p.bsSymmetry.clearAll();p.bsSymmetry.set(n*e);p.bsSymmetry.set(0);s&&this.setSymmetryMinMax(H);
d<h&&(k[d]=H)}r&&(this.rminx-=B,this.rminy-=B,this.rminz-=B,this.rmaxx+=B,this.rmaxy+=B,this.rmaxz+=B);p=d=this.symmetryAddAtoms(0,0,0,0,d,n*e,k,a,u,D)}t&&(this.rminx-=B,this.rminy-=B,this.rminz-=B,this.rmaxx+=B,this.rmaxy+=B,this.rmaxz+=B);n=0;for(w=this.minXYZ.x;w<this.maxXYZ.x;w++)for(ea=this.minXYZ.y;ea<this.maxXYZ.y;ea++)for(y=this.minXYZ.z;y<this.maxXYZ.z;y++)if(n++,0!=w||0!=ea||0!=y)d=this.symmetryAddAtoms(w,ea,y,p,d,n*e,k,a,u,D);n*f==this.asc.ac-this.firstAtom&&this.duplicateAtomProperties(n);
this.setCurrentModelInfo(f,m,b);this.unitCellParams=null;this.reset()}},"J.adapter.smarter.MSInterface,JU.BS");d(b,"applyRangeSymmetry",function(a){var c=this.acr.fillRange;a=this.updateBSAtoms();this.acr.forcePacked=!0;this.doPackUnitCell=!1;for(var f=JU.P3i.new3(this.minXYZ.x,this.minXYZ.y,this.minXYZ.z),e=JU.P3i.new3(this.maxXYZ.x,this.maxXYZ.y,this.maxXYZ.z),u=Array(4),b=0;4>b;b++)u[b]=JU.P3.newP(c[b]);this.setUnitCellSafely();this.adjustRangeMinMax(u);c=new J.adapter.smarter.XtalSymmetry.FileSymmetry;
c.getUnitCell(this.acr.fillRange,!1,null);this.applyAllSymmetry(this.acr.ms,a);for(var u=new JU.P3,h=this.asc.atoms,b=this.asc.ac;--b>=this.firstAtom;)u.setT(h[b]),this.symmetry.toCartesian(u,!1),c.toFractional(u,!1),(this.acr.noPack?!this.removePacking(this.ndims,u,f.x,e.x,f.y,e.y,f.z,e.z,this.packingRange):!this.isWithinCell(this.ndims,u,f.x,e.x,f.y,e.y,f.z,e.z,this.packingRange))&&a.clear(b)},"JU.BS");d(b,"applySuperSymmetry",function(a,c,f,e,u,b,h){this.asc.setGlobalBoolean(7);var k=this.doPackUnitCell;
this.doPackUnitCell=k;this.applyAllSymmetry(this.acr.ms,null);this.doPackUnitCell=k;for(var k=this.asc.atoms,l=this.asc.ac,j=f;j<l;j++)this.symmetry.toCartesian(k[j],!0),c.set(j);this.asc.setCurrentModelInfo("unitcell_conventional",this.symmetry.getV0abc("a,b,c",null));c=b[0];j=b[1];b=b[2];this.symmetry=new J.adapter.smarter.XtalSymmetry.FileSymmetry;this.setUnitCell(C(-1,[0,0,0,0,0,0,c.x,c.y,c.z,j.x,j.y,j.z,b.x,b.y,b.z,0,0,0,0,0,0,NaN,NaN,NaN,NaN,NaN,h]),null,null);a=null==e||null==a?"P1":"cell="+
a;this.setAtomSetSpaceGroupName(a);this.symmetry.setSpaceGroupName(a);this.symmetry.setSpaceGroup(this.doNormalize);this.symmetry.addSpaceGroupOperation("x,y,z",0);null!=u&&0==u.length()&&(u=null);null!=u&&this.symmetry.toFractional(u,!0);for(j=f;j<l;j++)this.symmetry.toFractional(k[j],!0),null!=u&&k[j].sub(u);this.asc.haveAnisou=!1;this.asc.setCurrentModelInfo("matUnitCellOrientation",null)},"~S,JU.BS,~N,~A,JU.P3,~A,~N");d(b,"applySymmetryLattice",function(){if(this.asc.coordinatesAreFractional&&
null!=this.symmetry.getSpaceGroup()){var a=this.latticeCells[0],c=this.latticeCells[1],f=Math.abs(this.latticeCells[2]),e=this.latticeCells[3];this.firstAtom=this.asc.getLastAtomSetAtomIndex();var u=this.asc.bsAtoms;null!=u&&(this.updateBSAtoms(),this.firstAtom=u.nextSetBit(this.firstAtom));this.rminx=this.rminy=this.rminz=3.4028235E38;this.rmaxx=this.rmaxy=this.rmaxz=-3.4028235E38;null==this.acr.latticeType&&(this.acr.latticeType=""+this.symmetry.getLatticeType());this.acr.isPrimitive&&(this.asc.setCurrentModelInfo("isprimitive",
Boolean.TRUE),(!"P".equals(this.acr.latticeType)||null!=this.acr.primitiveToCrystal)&&this.asc.setCurrentModelInfo("unitcell_conventional",this.symmetry.getConventionalUnitCell(this.acr.latticeType,this.acr.primitiveToCrystal)));this.setUnitCellSafely();this.asc.setCurrentModelInfo("f2c",this.symmetry.getUnitCellF2C());var b=this.symmetry.getSpaceGroupTitle();0>b.indexOf("--")&&this.asc.setCurrentModelInfo("f2cTitle",b);this.asc.setCurrentModelInfo("f2cParams",this.symmetry.getUnitCellParams());null!=
this.acr.latticeType&&(this.asc.setCurrentModelInfo("latticeType",this.acr.latticeType),"string"==typeof this.acr.fillRange&&(b=this.setLatticeRange(this.acr.latticeType,this.acr.fillRange),null==b?(this.acr.appendLoadNote(this.acr.fillRange+" symmetry could not be implemented"),this.acr.fillRange=null):this.acr.fillRange=b));this.baseSymmetry=this.symmetry;if(null!=this.acr.fillRange)this.setMinMax(this.ndims,e,a,c,f),this.applyRangeSymmetry(u);else{var b=null,h=1E-6;this.baseSymmetry.nSpins=0;var k=
this.acr.strSupercell,l=null!=k&&0<=k.indexOf(","),j=null,d=null,n=Array(3);l&&(j=new JU.M4,null==this.mident&&(this.mident=new JU.M4),this.setUnitCellSafely(),b=this.symmetry.getV0abc(k,j),j.transpose33(),null!=b&&!j.equals(this.mident)&&(this.setMinMax(this.ndims,e,a,c,f),d=JU.P3.newP(b[0]),n[0]=JU.V3.newV(b[1]),n[1]=JU.V3.newV(b[2]),n[2]=JU.V3.newV(b[3]),this.adjustRangeMinMax(b)));l=this.asc.getLastAtomSetAtomIndex();null!=u&&(l=u.nextSetBit(l));3.4028235E38==this.rminx?b=null:(u=this.updateBSAtoms(),
h=this.symmetry.getPrecision(),this.applySuperSymmetry(k,u,l,b,d,n,h));this.setMinMax(this.ndims,e,a,c,f);if(null==b){this.applyAllSymmetry(this.acr.ms,u);if(!this.acr.noPack&&(!this.applySymmetryToBonds||!this.acr.doPackUnitCell))return;this.setMinMax(this.ndims,e,a,c,f)}(this.acr.forcePacked||this.acr.doPackUnitCell||this.acr.noPack)&&this.trimToUnitCell(l);this.updateSupercellAtomSites(j,u,h)}}});d(b,"duplicateAtomProperties",function(a){var c=this.asc.getAtomSetAuxiliaryInfoValue(-1,"atomProperties");
if(null!=c)for(var f,e=c.entrySet().iterator();e.hasNext()&&((f=e.next())||1);){var u=f.getKey(),b=f.getValue();if("string"==typeof b){for(var h=b,k=new JU.SB,b=a;0<=--b;)k.append(h);c.put(u,k.toString())}else{u=b;h=C(u.length*a,0);for(b=a;0<=--b;)System.arraycopy(u,0,h,b*u.length,u.length)}}},"~N");d(b,"finalizeSymmetry",function(a){var c=this.asc.getAtomSetAuxiliaryInfoValue(-1,"spaceGroup");a.setFinalOperations(this.ndims,c,this.asc.atoms,this.firstAtom,this.noSymmetryCount,this.doNormalize,this.filterSymop);
(null!=this.filterSymop||null==c||c.equals("unspecified!"))&&this.setAtomSetSpaceGroupName(a.getUnitCellDisplayName());null!=this.unitCellParams||Float.isNaN(this.acr.unitCellParams[0])||(a.fixUnitCell(this.acr.unitCellParams)&&this.acr.appendLoadNote("Unit cell parameters were adjusted to match space group!"),this.setUnitCellSafely())},"J.adapter.smarter.XtalSymmetry.FileSymmetry");d(b,"removePacking",function(a,c,f,e,u,b,h,k,l){return c.x>f-l&&c.x<e-l&&(2>a||c.y>u-l&&c.y<b-l)&&(3>a||c.z>h-l&&c.z<
k-l)},"~N,JU.P3,~N,~N,~N,~N,~N,~N,~N");d(b,"reset",function(){this.asc.coordinatesAreFractional=!1;this.asc.setCurrentModelInfo("hasSymmetry",Boolean.TRUE);this.asc.setGlobalBoolean(1)});d(b,"setAtomSetSpaceGroupName",function(a){this.symmetry.setSpaceGroupName(a);a+="";this.asc.setCurrentModelInfo("f2cTitle",a);this.asc.setCurrentModelInfo("spaceGroup",a)},"~S");d(b,"setCurrentModelInfo",function(a,c,f){null==c?(this.asc.setCurrentModelInfo("presymmetryAtomCount",Integer.$valueOf(this.noSymmetryCount)),
this.asc.setCurrentModelInfo("biosymmetryCount",Integer.$valueOf(a)),this.asc.setCurrentModelInfo("biosymmetry",this.symmetry)):(this.asc.setCurrentModelInfo("presymmetryAtomCount",Integer.$valueOf(a)),this.asc.setCurrentModelInfo("latticeDesignation",c.getLatticeDesignation()),this.asc.setCurrentModelInfo("ML_unitCellRange",f),this.acr.isSUPERCELL&&this.asc.setCurrentModelInfo("supercell",this.acr.strSupercell));this.asc.setCurrentModelInfo("presymmetryAtomIndex",Integer.$valueOf(this.firstAtom));
a=this.symmetry.getSpaceGroupOperationCount();0<a&&(this.asc.setCurrentModelInfo("symmetryOperations",this.symmetry.getSymopList(this.doNormalize)),this.asc.setCurrentModelInfo("symOpsTemp",this.symmetry.getSymmetryOperations()));this.asc.setCurrentModelInfo("symmetryCount",Integer.$valueOf(a));this.asc.setCurrentModelInfo("latticeType",null==this.acr.latticeType?"P":this.acr.latticeType);this.asc.setCurrentModelInfo("intlTableNo",this.symmetry.getIntTableNumber());this.asc.setCurrentModelInfo("intlTableIndex",
this.symmetry.getSpaceGroupInfoObj("itaIndex",null,!1,!1));this.asc.setCurrentModelInfo("intlTableTransform",this.symmetry.getSpaceGroupInfoObj("itaTransform",null,!1,!1));this.asc.setCurrentModelInfo("intlTableJmolId",this.symmetry.getSpaceGroupJmolId());this.asc.setCurrentModelInfo("spaceGroupIndex",Integer.$valueOf(this.symmetry.getSpaceGroupIndex()));this.asc.setCurrentModelInfo("spaceGroupTitle",this.symmetry.getSpaceGroupTitle());if(null==this.acr.sgName||0<=this.acr.sgName.indexOf("?")||0<=
this.acr.sgName.indexOf("!"))this.setAtomSetSpaceGroupName(this.acr.sgName=this.symmetry.getSpaceGroupName())},"~N,J.adapter.smarter.XtalSymmetry.FileSymmetry,~A");d(b,"setCurrentModelUCInfo",function(a,c,f){null!=a&&this.asc.setCurrentModelInfo("unitCellParams",a);null!=c&&this.asc.setCurrentModelInfo("unitCellOffset",c);null!=f&&this.asc.setCurrentModelInfo("matUnitCellOrientation",f)},"~A,JU.P3,JU.M3");d(b,"setLatticeCells",function(){this.latticeCells=this.acr.latticeCells;var a=555>=this.latticeCells[0]&&
555<=this.latticeCells[1]&&(0==this.latticeCells[2]||1==this.latticeCells[2]||-1==this.latticeCells[2]);this.doNormalize=0!=this.latticeCells[0]&&(!a||1==this.latticeCells[2]);this.applySymmetryToBonds=this.acr.applySymmetryToBonds;this.doPackUnitCell=this.acr.doPackUnitCell&&!this.applySymmetryToBonds;this.doCentroidUnitCell=this.acr.doCentroidUnitCell;this.centroidPacked=this.acr.centroidPacked;this.filterSymop=this.acr.filterSymop});d(b,"setLatticeRange",function(a,c){var f=null,e="R".equals(a);
c.equals("conventional")?f=this.symmetry.getConventionalUnitCell(a,this.acr.primitiveToCrystal):c.equals("primitive")?(f=this.symmetry.getUnitCellVectors(),this.symmetry.toFromPrimitive(!0,a.charAt(0),f,this.acr.primitiveToCrystal)):e&&c.equals("rhombohedral")?c=1==this.symmetry.getUnitCellInfoType(8)?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":null:e&&c.equals("trigonal")?c=1==this.symmetry.getUnitCellInfoType(9)?"a-b,b-c,a+b+c":null:(0>c.indexOf(",")||0>c.indexOf("a")||0>c.indexOf("b")||c.indexOf("c"),
c=null);if(null!=c&&null==f&&null==(f=this.symmetry.getV0abc(c,null)))c=null;if(null==c)return null;this.acr.addJmolScript("unitcell "+JU.PT.esc(c));return f},"~S,~S");d(b,"setMinMax",function(a,c,f,e,u){this.minXYZ=new JU.P3i;this.maxXYZ=JU.P3i.new3(f,e,u);JU.SimpleUnitCell.setMinMaxLatticeParameters(a,this.minXYZ,this.maxXYZ,c)},"~N,~N,~N,~N,~N");d(b,"setSymmetryMinMax",function(a){this.rminx>a.x&&(this.rminx=a.x);this.rminy>a.y&&(this.rminy=a.y);this.rminz>a.z&&(this.rminz=a.z);this.rmaxx<a.x&&
(this.rmaxx=a.x);this.rmaxy<a.y&&(this.rmaxy=a.y);this.rmaxz<a.z&&(this.rmaxz=a.z)},"JU.P3");d(b,"setUnitCell",function(a,c,f){this.unitCellParams=C(a.length,0);for(var e=0;e<a.length;e++)this.unitCellParams[e]=a[e];this.asc.haveUnitCell=!0;this.asc.isTrajectory&&(null==this.trajectoryUnitCells&&(this.trajectoryUnitCells=new JU.Lst,this.asc.setInfo("unitCells",this.trajectoryUnitCells)),this.trajectoryUnitCells.addLast(this.unitCellParams));this.asc.setGlobalBoolean(2);this.getSymmetry().setUnitCellFromParams(this.unitCellParams,
!1,this.unitCellParams[26]);null!=f&&this.symmetry.setOffsetPt(f);null!=c&&this.symmetry.initializeOrientation(c);this.setCurrentModelUCInfo(this.unitCellParams,f,c)},"~A,JU.M3,JU.P3");d(b,"setUnitCellSafely",function(){null==this.unitCellParams&&this.setUnitCell(this.acr.unitCellParams,this.acr.matUnitCellOrientation,this.acr.unitCellOffset)});d(b,"symmetryAddAtoms",function(a,c,f,e,u,b,h,k,l,j){var d=0==e,n=null!=j;this.doPackUnitCell&&this.ptOffset.set(a,c,f);var p=this.symmetryRange*this.symmetryRange,
B=0>this.symmetryRange,s=0<this.symmetryRange,r=d&&s,s=(new Boolean(s&!d)).valueOf(),t=this.symmetry.getSpaceGroupOperationCount(),m=this.acr.lstNCS,A=null==m?0:m.size(),x=t+A,A=F(A/t),D=this.checkNearAtoms&&(1<x||this.doPackUnitCell),w=B||s,z=D||w,y=null!=l,H=D||r,C=this.acr.isMolecular?null:this.asc.bsAtoms,G=this.symmetry;B&&(e=this.noSymmetryCount);var B=this.firstAtom+this.noSymmetryCount,eb=0>this.asc.firstAtomToBond?B:this.asc.firstAtomToBond,$=new JU.P3,P=null,E=y?0.01:1E-4,R="\x00",X=null==
C?this.firstAtom:C.nextSetBit(this.firstAtom),I=0;a:for(;I<x;I++)if(!(d&&0==I||this.crystalReaderLatticeOpsOnly&&0<I&&0!=I%this.latticeOp||null!=l&&l.get(I))){for(var Q=this.firstAtom+(D?u:s?e:0),N=I>=t?0:0==this.asc.vibScale?G.getSpinOp(I):this.asc.vibScale,S=Math.max(this.firstAtom,null==C?0:C.nextSetBit(0)),ba=z,L=I>=t?F((I-t)/A):I,T=L+b;S<B;S++){var U=this.asc.atoms[S];if(null==C||C.get(S)){null==k?G.newSpaceGroupPoint(U,I,I>=t?m.get(I-t):null,a,c,f,$):(G=k.getAtomSymmetry(U,this.symmetry),G.newSpaceGroupPoint(U,
I,null,a,c,f,$),P=G.getSpaceGroupOperationCode(I),null!=P&&(R=P.charAt(0),G=k.getSymmetryFromCode(P),0==G.getSpaceGroupOperationCount()&&this.finalizeSymmetry(G)));this.acr.fixFloatPt($,1E5);var Y=JU.P3.newP($);G.toCartesian(Y,!1);if(this.doPackUnitCell&&(G.toUnitCellRnd(Y,this.ptOffset),$.setT(Y),G.toFractional($,!1),this.acr.fixFloatPt($,1E5),!this.isWithinCell(this.ndims,$,this.minXYZ0.x,this.maxXYZ0.x,this.minXYZ0.y,this.maxXYZ0.y,this.minXYZ0.z,this.maxXYZ0.z,this.packingRange)))continue;r&&
this.setSymmetryMinMax(Y);var M=null;if(ba){if(w&&(Y.x<this.rminx||Y.y<this.rminy||Y.z<this.rminz||Y.x>this.rmaxx||Y.y>this.rmaxy||Y.z>this.rmaxz))continue;for(var aa=3.4028235E38,O=this.checkAll?this.asc.ac:Q,Z=U.atomName,ha=null==P?U.altLoc:R,fa=X;fa<O;fa++)if(null==C||C.get(fa)){var V=h[fa-this.firstAtom];if(null!=V){V=Y.distanceSquared(V);if(D&&V<E){if(y){l.set(I);continue a}M=this.asc.atoms[fa];if((null==M.atomName||M.atomName.equals(Z))&&M.altLoc==ha)break;M=null}s&&(fa<e&&V<aa)&&(aa=V)}}if(s&&
aa>p)continue}y&&(ba=!1);fa=U.atomSite;if(null!=M)n&&(j[fa]=M.index),M.bsSymmetry.set(T),M.bsSymmetry.set(L);else{n&&(j[fa]=this.asc.ac);M=U.copyTo($,this.asc);null!=this.asc.bsAtoms&&this.asc.bsAtoms.set(M.index);0!=N&&null!=M.vib&&(G.getSpaceGroupOperation(I).rotateSpin(M.vib),M.vib.scale(N));if(0>M.part){var da=Integer.$valueOf(1E3*I+500+M.part);null==this.disorderMap&&(this.disorderMap=new java.util.Hashtable);aa=this.disorderMap.get(da);null==aa&&(O=Integer.$valueOf(M.part),Z=null==this.disorderMap.get(O),
0==this.disorderMapMax||122==this.disorderMapMax?this.disorderMapMax=64:90==this.disorderMapMax&&(this.disorderMapMax=96),aa=new Character(Z?M.altLoc:String.fromCharCode(++this.disorderMapMax)),this.disorderMap.put(da,aa),Z&&this.disorderMap.put(O,aa));M.altLoc=aa.charValue()}M.atomSite=fa;null!=P&&(M.altLoc=R);M.bsSymmetry=JU.BSUtil.newAndSetBit(T);M.bsSymmetry.set(L);H&&(h[u++]=Y);U=U.tensors;if(null!=U){M.tensors=null;for(fa=U.size();0<=--fa;)Y=U.get(fa),null!=Y&&(1==t?M.addTensor(Y.copyTensor(),
null,!1):this.addRotatedTensor(M,Y,I,!1,G))}}}}if(n){Q=this.asc.bonds;N=this.asc.atoms;for(ba=this.asc.bondIndex0;ba<this.bondCount0;ba++)if(L=Q[ba],M=N[L.atomIndex1],S=N[L.atomIndex2],!(null==M||null==S||S.atomSetIndex<M.atomSetIndex))if(T=j[M.atomSite],U=j[S.atomSite],T>U&&(S=T,T=U,U=S),T!=U&&(T>=eb||U>=eb)&&0>this.bondsFound.indexOf(da="-"+T+","+U))this.bondsFound.append(da),this.asc.addNewBondWithOrder(T,U,L.order)}}return u},"~N,~N,~N,~N,~N,~N,~A,J.adapter.smarter.MSInterface,JU.BS,~A");d(b,
"setPartProperty",function(){for(var a=this.asc.atomSetCount;0<=--a;){for(var c=C(this.asc.getAtomSetAtomCount(a),0),f=0,e=this.asc.getAtomSetAtomIndex(a),u=c.length;f<u;f++){var b=this.asc.atoms[e++];c[f]=b.part}this.asc.setAtomProperties("part",c,a,!1)}});d(b,"trimToUnitCell",function(a){var c=this.asc.atoms,f=this.updateBSAtoms();if(this.acr.noPack)for(a=f.nextSetBit(a);0<=a;a=f.nextSetBit(a+1))this.removePacking(this.ndims,c[a],this.minXYZ.x,this.maxXYZ.x,this.minXYZ.y,this.maxXYZ.y,this.minXYZ.z,
this.maxXYZ.z,this.packingRange)||f.clear(a);else for(a=f.nextSetBit(a);0<=a;a=f.nextSetBit(a+1))this.isWithinCell(this.ndims,c[a],this.minXYZ.x,this.maxXYZ.x,this.minXYZ.y,this.maxXYZ.y,this.minXYZ.z,this.maxXYZ.z,this.packingRange)||f.clear(a)},"~N");d(b,"updateBSAtoms",function(){var a=this.asc.bsAtoms;null==a&&(a=this.asc.bsAtoms=JU.BSUtil.newBitSet2(0,this.asc.ac));0>a.nextSetBit(this.firstAtom)&&a.setBits(this.firstAtom,this.asc.ac);return a});d(b,"updateSupercellAtomSites",function(a,c,f){for(var e=
c.cardinality(),e=Array(e),u=0,b=f*f,h=c.nextSetBit(0);0<=h;h=c.nextSetBit(h+1)){var k=this.asc.atoms[h],l=new J.adapter.smarter.Atom;l.setT(k);null!=a&&(a.rotTrans(l),JU.SimpleUnitCell.unitizeDimRnd(3,l,f));l.atomSerial=k.atomSite;l.atomSite=k.atomSite;this.symmetry.unitize(l);for(var d=!1,q=0;q<u;q++){var n=e[q];if(l.atomSerial==n.atomSerial&&l.distanceSquared(n)<b){d=!0;k.atomSite=n.atomSite;break}}d||(k.atomSite=l.atomSite=u,e[u++]=l)}},"JU.M4,JU.BS,~N");d(b,"newFileSymmetry",function(){return new J.adapter.smarter.XtalSymmetry.FileSymmetry});
b=L(function(){this.spinFrameRotationMatrix=this.spinFrameCartXYZ=this.spinFramePp=this.spinFrameExt=this.spinFrame=null;this.nSpins=0;Q(this,arguments)},J.adapter.smarter.XtalSymmetry,"FileSymmetry",JS.Symmetry);d(b,"mapSpins",function(a){this.spaceGroup.mapSpins(a)},"java.util.Map");d(b,"addMagLatticeVectors",function(a){return this.spaceGroup.addMagLatticeVectors(a)},"JU.Lst");d(b,"addSpinLattice",function(a,c){this.spaceGroup.addSpinLattice(a,c)},"JU.Lst,java.util.Map");d(b,"setSpinList",function(a){return this.spaceGroup.setSpinList(a)},
"~S");d(b,"checkDistance",function(a,c,f,e,u,b,h,k){return this.unitCell.checkDistance(a,c,f,e,u,b,h,k)},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");d(b,"createSpaceGroup",function(a,c,f,e){this.spaceGroup=JS.SpaceGroup.createSpaceGroup(a,c,f,e);null!=this.spaceGroup&&JU.Logger.debugging&&JU.Logger.debug("using generated space group "+this.spaceGroup.dumpInfo());return null!=this.spaceGroup},"~N,~S,~O,~N");d(b,"fcoord",function(a){return JS.SymmetryOperation.fcoord(a," ")},"JU.T3");d(b,"getRotTransArrayAndXYZ",
function(a,c){JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,c,!1,!0,!1,null)},"~S,~A");d(b,"getSpaceGroupOperationCode",function(a){return this.spaceGroup.symmetryOperations[a].subsystemCode},"~N");d(b,"getTensor",function(a,c){if(null==c)return null;null==this.unitCell&&(this.unitCell=JS.UnitCell.fromParams(C(-1,[1,1,1,90,90,90]),!0,1E-4));return this.unitCell.getTensor(a,c)},"JV.Viewer,~A");d(b,"getSpaceGroupTitle",function(){var a=this.getSpaceGroupName();return a.startsWith("cell=")?a:null!=
this.spaceGroup?this.spaceGroup.asString():null!=this.unitCell&&0<this.unitCell.name.length?"cell="+this.unitCell.name:""});d(b,"setPrecision",function(a){this.unitCell.setPrecision(a)},"~N");d(b,"toFractionalM",function(a){this.$isBio||this.unitCell.toFractionalM(a)},"JU.M4");d(b,"toUnitCellRnd",function(a,c){this.unitCell.toUnitCellRnd(a,c)},"JU.T3,JU.T3");d(b,"twelfthify",function(a){this.unitCell.twelfthify(a)},"JU.P3");d(b,"getConventionalUnitCell",function(a,c){return null==this.unitCell||null==
a?null:this.unitCell.getConventionalUnitCell(a,c)},"~S,JU.M3");d(b,"getSpaceGroupIndex",function(){return this.spaceGroup.getIndex()});d(b,"getUnitCellF2C",function(){return this.unitCell.getF2C()});d(b,"addInversion",function(){var a=this.spaceGroup.symmetryOperations,c=new JU.M4;c.m00=c.m11=c.m22=-1;c.m33=1;for(var f=this.getSpaceGroupOperationCount(),e=new JU.M4,u=0;u<f;u++){e.mul2(c,a[u]);var b=JS.SymmetryOperation.getXYZFromMatrix(e,!0,!0,!1);this.addSpaceGroupOperation(b,0)}});d(b,"rotateAxes",
function(a,c,f,e){return 0==a?c:this.spaceGroup.symmetryOperations[a].rotateAxes(c,this.unitCell,f,e)},"~N,~A,JU.P3,JU.M3");d(b,"preSymmetryFinalizeMoments",function(a,c,f,e){this.spinFrame=f;this.spinFrameExt=e;this.spinFrameCartXYZ=this.spinFramePp=null;var u=a.unitCellParams[0],b=a.unitCellParams[1],h=a.unitCellParams[2];if(null!=f){var k=this.preSymmetrySetSpinFrameMatrices(a),u=k[1].length(),b=k[2].length(),h=k[3].length();this.spinFrameCartXYZ=new JU.M3;f=new JU.P3;for(e=4;0<--e;)f.setT(k[e]),
this.spinFrameCartXYZ.setColumnV(e-1,f);null!=this.spinFrameRotationMatrix&&this.spinFrameCartXYZ.mul2(this.spinFrameRotationMatrix,this.spinFrameCartXYZ);System.out.println("XtalSymmetry spinFramePp=\n "+this.spinFramePp+"\nrotation=\n "+this.spinFrameRotationMatrix+"\nspinFrameCartXYZ=\n "+this.spinFrameCartXYZ);null!=this.spinFrameRotationMatrix&&c.setCurrentModelInfo("spinFrameRotationMatrix",this.spinFrameRotationMatrix)}u=JU.P3.new3(1/u,1/b,1/h);b=c.getAtomSetAtomIndex(c.iSet);for(e=c.ac;--e>=
b;)f=c.atoms[e].vib,null!=f&&(f.scaleT(u),f.isFractional&&0==f.magMoment&&(null==this.unitCell&&this.setUnitCellFromParams(a.unitCellParams,!1,NaN),this.toCartesian(f,!0),f.magMoment=f.length(),this.toFractional(f,!0)))},"J.adapter.smarter.AtomSetCollectionReader,J.adapter.smarter.AtomSetCollection,~S,~S");d(b,"preSymmetrySetSpinFrameMatrices",function(a){System.out.println("XtalSymmetry.setSpinFrameMatrices using frame "+this.spinFrame);this.setUnitCellFromParams(a.unitCellParams,!1,NaN);this.spinFramePp=
new JU.M4;var c=JS.UnitCell.getMatrixAndUnitCell(a.vwr,this.unitCell,this.spinFrame,this.spinFramePp),f=this.getSpinExt(this.spinFrameExt,"axis");if(null!=f){var e=JU.PT.parseFloat(this.getSpinExt(this.spinFrameExt,"angle"));Float.isNaN(e)||(f=this.getAxis(f),null!=f&&(a.addMoreUnitCellInfo("rotation_axis_xyz="+f.x+","+f.y+","+f.z),this.spinFrameRotationMatrix=(new JU.M3).setAA(JU.A4.newVA(f,0.017453292519943295*e))))}return c},"J.adapter.smarter.AtomSetCollectionReader");d(b,"getVariableAxis",function(a){var c=
JU.P3.new3(1,1,1);a.$replace("n"," ").$replace("u","x").$replace("v","y").$replace("w","z");this.convertTransform(a,null).rotate(c);return C(-1,[c.x,c.y,c.z])},"~S");d(b,"getAxis",function(a){var c=null,f=null,e=!1;0<=a.indexOf("n")?f=this.getVariableAxis(a):a.startsWith("[")?(a=a.$replace("["," ").$replace("]"," ").$replace(","," ").trim(),a=JU.PT.rep(a,"  "," "),c=JU.PT.split(a," "),e=!0):c=a.$plit(",");if(null==f&&3==c.length){f=C(3,0);for(a=3;0<=--a;)if(f[a]=JU.PT.parseFloat(c[a].trim()),Float.isNaN(f[a]))return null}if(null==
f)return null;c=JU.V3.new3(f[0],f[1],f[2]);e||this.unitCell.toCartesian(c,!0);c.normalize();return c},"~S");d(b,"getSpinExt",function(a,c){if(null==a)return null;c=";"+c+"=";var f=a.indexOf(c);return 0>f?null:a.substring(f+c.length,a.indexOf(";",f+1))},"~S,~S");d(b,"postSymmetrySetMagneticMoments",function(a,c){if(0<this.nSpins)return this.nSpins;for(var f=a.getAtomSetAtomIndex(a.iSet),e=a.ac;--e>=f;){var u=a.atoms[e].vib;null!=u&&(0<u.modDim?(u.setMoment(),this.nSpins++):(u=u.clone(),null!=this.spinFrameCartXYZ?
this.spinFrameCartXYZ.rotate(u):c||this.toCartesian(u,!0),0<u.lengthSquared()&&(u.scale(u.magMoment/u.length()),this.nSpins++)))}return this.nSpins},"J.adapter.smarter.AtomSetCollection,~B")});V("JS");da(["J.api.SymmetryInterface"],"JS.Symmetry","java.util.Hashtable $.Stack JU.AU $.BS $.JSJSONParser $.Lst $.M4 $.P3 $.PT $.Quat $.Rdr $.SB J.api.Interface J.bspt.Bspt JS.PointGroup $.SpaceGroup $.SymmetryInfo $.SymmetryOperation $.UnitCell JU.BSUtil $.Escape $.Logger $.SimpleUnitCell JV.FileManager".split(" "),
function(){var b=L(function(){this.unitCell=this.spaceGroup=null;this.$isBio=!1;this.id=this.spinList=this.vwr=this.transformMatrix=this.desc=this.symmetryInfo=this.cip=this.pointGroup=null;Q(this,arguments)},JS,"Symmetry",null,J.api.SymmetryInterface);m(b,"getSymopList",function(a){for(var c=this.spaceGroup.operationCount,f=Array(c),e=0;e<c;e++)f[e]=""+this.getSpaceGroupXyzOriginal(e,a);return f},"~B");m(b,"isBio",function(){return this.$isBio});m(b,"setPointGroup",function(a,c,f,e,u,b,h,k,d,j){this.pointGroup=
JS.PointGroup.getPointGroup(null==c?null:c.pointGroup,f,e,u,b,h,k,d,j,a.getBoolean(603979956),a.getScalePixelsPerAngstrom(!1));return this},"JV.Viewer,J.api.SymmetryInterface,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B");m(b,"getPointGroupName",function(){return this.pointGroup.getName()});m(b,"getPointGroupInfo",function(a,c,f,e,u,b){return null==c&&!f&&null!=this.pointGroup.textInfo?this.pointGroup.textInfo:null==c&&this.pointGroup.isDrawType(e,u,b)?this.pointGroup.drawInfo:f&&null!=this.pointGroup.info?this.pointGroup.info:
this.pointGroup.getInfo(a,c,f,e,u,b)},"~N,~S,~B,~S,~N,~N");m(b,"setSpaceGroup",function(a){this.clearSymmetryInfo();null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,a,!1))},"~B");m(b,"addSpaceGroupOperation",function(a,c){return this.spaceGroup.addSymmetry(a,c,!0)},"~S,~N");m(b,"addBioMoleculeOperation",function(a,c){this.$isBio=this.spaceGroup.isBio=!0;return this.spaceGroup.addSymmetry((c?"!":"")+"[[bio"+a,0,!1)},"JU.M4,~B");m(b,"setLattice",function(a){this.spaceGroup.setLatticeParam(a)},
"~N");m(b,"getSpaceGroup",function(){return this.spaceGroup});m(b,"getSpaceGroupInfoObj",function(a,c,f,e){var u=!1;switch(a){case "list":return this.getSpaceGroupList(c);case "opsCtr":return this.spaceGroup.getOpsCtr(c);case "itaTransform":case "itaNumber":u=!0;case "nameToXYZList":case "itaIndex":case "hmName":case "hmNameShort":f=null;if(null!=c){if(c.endsWith("'"))return c=JS.SpaceGroup.convertWyckoffHMCleg(c,null),u&&null!=c?(f=c.indexOf(":"),"itaNumber".equals(a)?c.substring(0,f):c.substring(f+
1)):null;if(1<c.length&&"/"==c.charAt(1)){f=JS.SpaceGroup.getExplicitSpecialGroupType(c);f=JS.Symmetry.getSpecialSettingInfo(this.vwr,c,f);if(null!=f)switch(a){case "itaData":return f;case "hmName":case "hmNameShort":return f.get("hm");case "nameToXYZList":return f.get("gp");case "itaIndex":return""+f.get("sg")+"."+f.get("set");case "itaTransform":return f.get("trm");case "itaNumber":return""+f.get("sg")}return null}c.startsWith("ITA/")&&(c=c.substring(4));f=JS.SpaceGroup.determineSpaceGroupN(c);
null==f&&"nameToXYZList".equals(a)&&(f=JS.SpaceGroup.createSpaceGroupN(c,!0))}else null!=this.spaceGroup?f=this.spaceGroup:null!=this.symmetryInfo&&(f=this.symmetryInfo.getDerivedSpaceGroup());switch(null==f?"":a){case "hmName":return f.getHMName();case "hmNameShort":return f.getHMNameShort();case "nameToXYZList":a=new JU.Lst;f.setFinalOperationsSafely();u=0;for(c=f.getOperationCount();u<c;u++)a.addLast(f.getOperation(u).xyz);return a;case "itaIndex":return f.getItaIndex();case "itaTransform":return f.itaTransform;
case "itaNumber":return f.itaNumber}return null;default:return JS.SpaceGroup.getInfo(this.spaceGroup,a,c,f,e)}},"~S,~O,~B,~B");d(b,"getSpaceGroupList",function(a){for(var c=new JU.SB,f=this.getSpaceGroupJSON("ITA","ALL",0),e=0,u=f.size();e<u;e++){var b=f.get(e),h=b.get("sg");(null==a||h.equals(a))&&c.appendO(h).appendC(".").appendO(b.get("set")).appendC("\t").appendO(b.get("hm")).appendC("\t").appendO(b.get("sg")).appendC(":").appendO(b.get("trm")).appendC("\n")}return c.toString()},"Integer");m(b,
"getLatticeDesignation",function(){return this.spaceGroup.getShelxLATTDesignation()});m(b,"setFinalOperations",function(a,c,f,e,u,b,h){null!=c&&(c.startsWith("bio")||0<=c.indexOf(" *("))&&this.spaceGroup.setName(c);var k="unspecified!".equals(c);k&&(h="calculated");if(null!=h){var d=new JU.Lst;d.addLast(this.spaceGroup.symmetryOperations[0]);for(var j=1;j<this.spaceGroup.operationCount;j++)(k||h.contains(" "+(j+1)+" "))&&d.addLast(this.spaceGroup.symmetryOperations[j]);this.spaceGroup=JS.SpaceGroup.createSpaceGroup(-1,
c+" *("+h.trim()+")",d,-1)}this.spaceGroup.setFinalOperationsForAtoms(a,f,e,u,b)},"~N,~S,~A,~N,~N,~B,~S");m(b,"getSpaceGroupOperation",function(a){return null==this.spaceGroup||null==this.spaceGroup.symmetryOperations||a>=this.spaceGroup.symmetryOperations.length?null:null==this.spaceGroup.finalOperations?this.spaceGroup.symmetryOperations[a]:this.spaceGroup.finalOperations[a]},"~N");m(b,"getSpaceGroupXyzOriginal",function(a,c){return this.spaceGroup.getXyz(a,c)},"~N,~B");m(b,"newSpaceGroupPoint",
function(a,c,f,e,u,b,h){null==f&&null==this.spaceGroup.finalOperations&&(f=this.spaceGroup.symmetryOperations[c],f.doFinalize());JS.SymmetryOperation.rotateAndTranslatePoint(null==f?this.spaceGroup.finalOperations[c]:f,a,e,u,b,h)},"JU.P3,~N,JU.M4,~N,~N,~N,JU.P3");m(b,"getSpinOp",function(a){return this.spaceGroup.symmetryOperations[a].getMagneticOp()},"~N");m(b,"getLatticeOp",function(){return this.spaceGroup.latticeOp});m(b,"getLatticeCentering",function(){return JS.SymmetryOperation.getLatticeCentering(this.getSymmetryOperations())});
m(b,"getOperationRsVs",function(a){return(null==this.spaceGroup.finalOperations?this.spaceGroup.symmetryOperations:this.spaceGroup.finalOperations)[a].rsvs},"~N");m(b,"getSiteMultiplicity",function(a){return this.spaceGroup.getSiteMultiplicity(a,this.unitCell)},"JU.P3");m(b,"getSpaceGroupName",function(){return null!=this.spaceGroup?this.spaceGroup.getName():null!=this.symmetryInfo?this.symmetryInfo.sgName:null!=this.unitCell&&0<this.unitCell.name.length?"cell="+this.unitCell.name:""});m(b,"geCIFWriterValue",
function(a){return null==this.spaceGroup?null:this.spaceGroup.getCIFWriterValue(a,this)},"~S");m(b,"getLatticeType",function(){return null!=this.symmetryInfo?this.symmetryInfo.latticeType:null==this.spaceGroup?"P":this.spaceGroup.latticeType});m(b,"getIntTableNumber",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableNo:null==this.spaceGroup?null:this.spaceGroup.itaNumber});m(b,"getIntTableIndex",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableIndexNdotM:null==
this.spaceGroup?null:this.spaceGroup.getItaIndex()});m(b,"getIntTableTransform",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableTransform:null==this.spaceGroup?null:this.spaceGroup.itaTransform});m(b,"getSpaceGroupClegId",function(){return null!=this.symmetryInfo?this.symmetryInfo.getClegId():this.spaceGroup.getClegId()});m(b,"getSpaceGroupJmolId",function(){return null!=this.symmetryInfo?this.symmetryInfo.intlTableJmolId:null==this.spaceGroup?null:this.spaceGroup.jmolId});m(b,
"getCoordinatesAreFractional",function(){return null==this.symmetryInfo||this.symmetryInfo.coordinatesAreFractional});m(b,"getCellRange",function(){return null==this.symmetryInfo?null:this.symmetryInfo.cellRange});m(b,"getSymmetryInfoStr",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.infoStr;if(null==this.spaceGroup)return"";(this.symmetryInfo=new JS.SymmetryInfo).setSymmetryInfoFromModelkit(this.spaceGroup);return this.symmetryInfo.infoStr});m(b,"getSpaceGroupOperationCount",function(){return null!=
this.symmetryInfo&&null!=this.symmetryInfo.symmetryOperations?this.symmetryInfo.symmetryOperations.length:null!=this.spaceGroup?null!=this.spaceGroup.finalOperations?this.spaceGroup.finalOperations.length:this.spaceGroup.operationCount:0});m(b,"getSymmetryOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.symmetryOperations;null==this.spaceGroup&&(this.spaceGroup=JS.SpaceGroup.getNull(!0,!1,!0));this.spaceGroup.setFinalOperationsSafely();return this.spaceGroup.finalOperations});
m(b,"getAdditionalOperationsCount",function(){return null!=this.symmetryInfo&&null!=this.symmetryInfo.symmetryOperations&&null!=this.symmetryInfo.getAdditionalOperations()?this.symmetryInfo.additionalOperations.length:null!=this.spaceGroup&&null!=this.spaceGroup.finalOperations?this.spaceGroup.getAdditionalOperationsCount():0});m(b,"getAdditionalOperations",function(){if(null!=this.symmetryInfo)return this.symmetryInfo.getAdditionalOperations();this.getSymmetryOperations();return this.spaceGroup.getAdditionalOperations()});
m(b,"isSimple",function(){return null==this.spaceGroup&&(null==this.symmetryInfo||null==this.symmetryInfo.symmetryOperations)});m(b,"haveUnitCell",function(){return null!=this.unitCell});m(b,"setUnitCellFromParams",function(a,c,f){null==a&&(a=C(-1,[1,1,1,90,90,90]));this.unitCell=JS.UnitCell.fromParams(a,c,f);return this},"~A,~B,~N");m(b,"unitCellEquals",function(a){return a.unitCell.isSameAs(this.unitCell.getF2C())},"J.api.SymmetryInterface");m(b,"isSymmetryCell",function(a){a=a.unitCell;var c=!a.isStandard()?
null:null!=this.symmetryInfo?this.symmetryInfo.spaceGroupF2C:this.unitCell.getF2C();a=a.isSameAs(c);null!=this.symmetryInfo&&this.symmetryInfo.setIsCurrentCell(a)&&this.setUnitCellFromParams(this.symmetryInfo.spaceGroupF2CParams,!1,NaN);return a},"J.api.SymmetryInterface");m(b,"getUnitCellState",function(){return null==this.unitCell?"":this.unitCell.getState()});m(b,"getMoreInfo",function(){return this.unitCell.getMoreInfo()});m(b,"initializeOrientation",function(a){this.unitCell.initOrientation(a)},
"JU.M3");m(b,"unitize",function(a){this.unitCell.unitize(a)},"JU.T3");m(b,"toUnitCell",function(a,c){this.unitCell.toUnitCell(a,c)},"JU.T3,JU.T3");m(b,"toSupercell",function(a){return this.unitCell.toSupercell(a)},"JU.P3");m(b,"toFractional",function(a,c){this.$isBio||this.unitCell.toFractional(a,c)},"JU.T3,~B");m(b,"toCartesian",function(a,c){this.$isBio||this.unitCell.toCartesian(a,c)},"JU.T3,~B");m(b,"getUnitCellParams",function(){return this.unitCell.getUnitCellParams()});m(b,"getUnitCellAsArray",
function(a){return this.unitCell.getUnitCellAsArray(a)},"~B");m(b,"getUnitCellVerticesNoOffset",function(){return this.unitCell.getVertices()});m(b,"getCartesianOffset",function(){return this.unitCell.getCartesianOffset()});m(b,"getFractionalOffset",function(a){var c=this.unitCell.getFractionalOffset();return a&&null!=c&&c.x==z(c.x)&&c.y==z(c.y)&&c.z==z(c.z)?null:c},"~B");m(b,"setOffsetPt",function(a){this.unitCell.setOffset(a)},"JU.T3");m(b,"setOffset",function(a){var c=new JU.P3;JU.SimpleUnitCell.ijkToPoint3f(a,
c,0,0);this.unitCell.setOffset(c)},"~N");m(b,"getUnitCellMultiplier",function(){return this.unitCell.getUnitCellMultiplier()});m(b,"getUnitCellMultiplied",function(){return this.unitCell.getUnitCellMultiplied()===this.unitCell?this:(new JS.Symmetry).setViewer(this.vwr,"getUCM")});m(b,"getCanonicalCopy",function(a,c){return this.unitCell.getCanonicalCopy(a,c)},"~N,~B");m(b,"getUnitCellInfoType",function(a){return this.unitCell.getInfo(a)},"~N");m(b,"getUnitCellInfo",function(a){return null==this.unitCell?
null:this.unitCell.dumpInfo(!1,a)},"~B");m(b,"isSlab",function(){return this.unitCell.isSlab()});m(b,"isPolymer",function(){return this.unitCell.isPolymer()});d(b,"getUnitCellVectors",function(){return this.unitCell.getUnitCellVectors()});m(b,"getUnitCell",function(a,c,f){if(null==a)return null;this.unitCell=JS.UnitCell.fromOABC(a,c);null!=f&&(this.unitCell.name=f);return this},"~A,~B,~S");m(b,"isSupercell",function(){return this.unitCell.isSupercell()});m(b,"notInCentroid",function(a,c,f){try{var e=
new JU.BS,u=c.nextSetBit(0),b=a.getMolecules(),h=b.length,k=a.at,d=b[h-1].firstAtomIndex==a.am[k[u].mi].firstAtomIndex,j=new JU.P3,q=f[6]/100;a=0!=q;a:for(;0<=--h&&c.get(b[h].firstAtomIndex);){var n=b[h].atomList;j.set(0,0,0);for(var u=0,p=n.nextSetBit(0);0<=p;p=n.nextSetBit(p+1))if(d||a)if(j.setT(k[p]),this.isNotCentroid(j,1,f,q))d&&e.set(p);else{if(!d)continue a}else j.add(k[p]),u++;(a||0<u&&this.isNotCentroid(j,u,f,0))&&e.or(n)}return e}catch(B){if(ha(B,Exception))return null;throw B;}},"JM.ModelSet,JU.BS,~A");
d(b,"isNotCentroid",function(a,c,f,e){a.scale(1/c);this.toFractional(a,!1);return 0!=e?(c=0<=e?e:5E-6,a.x+c<=f[0]||a.x-c>f[3]||a.y+c<=f[1]||a.y-c>f[4]||a.z+c<=f[2]||a.z-c>f[5]):a.x+5E-6<=f[0]||a.x+5E-5>f[3]||a.y+5E-6<=f[1]||a.y+5E-5>f[4]||a.z+5E-6<=f[2]||a.z+5E-5>f[5]},"JU.P3,~N,~A,~N");d(b,"getDesc",function(a){return null==a?null==JS.Symmetry.nullDesc?JS.Symmetry.nullDesc=J.api.Interface.getInterface("JS.SymmetryDesc",null,"modelkit"):JS.Symmetry.nullDesc:(null==this.desc?this.desc=J.api.Interface.getInterface("JS.SymmetryDesc",
a.vwr,"eval"):this.desc).set(a)},"JM.ModelSet");m(b,"getSymmetryInfoAtom",function(a,c,f,e,u,b,h,k,d,j,q,n,p){return this.getDesc(a).getSymopInfo(c,f,e,u,b,h,k,d,j,q,n,p)},"JM.ModelSet,~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");m(b,"getSpaceGroupInfo",function(a,c,f,e,u){var b=null==c;if(null==c){0>f&&(f=a.vwr.am.cmi);var h=a.getModelAuxiliaryInfo(f);null!=h&&(c=h.get("spaceGroup"))}h=null;null!=u&&(h=(new JS.Symmetry).setViewer(this.vwr,"getSGI").setUnitCellFromParams(u,!1,NaN));return this.getDesc(a).getSpaceGroupInfo(this,
f,c,0,null,null,null,0,-1,e,b,0,h,null)},"JM.ModelSet,~S,~N,~B,~A");m(b,"getV0abc",function(a,c){var f=null,f=a&&a[0]?a[0]:null;return(null!=f?I(f,"JU.T3"):I(a,Array))?a:JS.UnitCell.getMatrixAndUnitCell(this.vwr,this.unitCell,a,c)},"~O,JU.M4");m(b,"getQuaternionRotation",function(a){return null==this.unitCell?null:this.unitCell.getQuaternionRotation(a)},"~S");m(b,"getFractionalOrigin",function(){return this.unitCell.getFractionalOrigin()});m(b,"getState",function(a,c,f){var e=null!=a.getInfo(c,"spaceGroupAssigned"),
u=this.getFractionalOffset(!1),b=!1;if(null!=u&&(0!=u.x||0!=u.y||0!=u.z))f.append("; set unitcell ").append(JU.Escape.eP(u)),b=!0;u=this.getUnitCellMultiplier();null!=u&&(f.append("; set unitcell ").append(JU.SimpleUnitCell.escapeMultiplier(u)),b=!0);u=a.getInfo(c,"spaceGroup");e&&null!=u&&(b=u.indexOf("#"),0<=b&&(u=u.substring(b+1)),b="\n UNITCELL "+JU.Escape.e(a.getUnitCell(c).getUnitCellVectors()),f.append(b),f.append("\n MODELKIT SPACEGROUP "+JU.PT.esc(u)),f.append(b),b=!0);a=a.getInfo(c,"spinRotationMatrixApplied");
null!=a&&(f.append("\n rotate VECTORS "+JU.Quat.newM(a)),b=!0);return b},"JM.ModelSet,~N,JU.SB");m(b,"getIterator",function(a,c,f,e){return J.api.Interface.getInterface("JS.UnitCellIterator",a,"script").set(this,c,a.ms.at,f,e)},"JV.Viewer,JM.Atom,JU.BS,~N");m(b,"toFromPrimitive",function(a,c,f,e){null==this.unitCell&&(this.unitCell=JS.UnitCell.fromOABC(f,!1));return this.unitCell.toFromPrimitive(a,c,f,e)},"~B,~S,~A,JU.M3");m(b,"generateCrystalClass",function(a){if(null==this.symmetryInfo||!this.symmetryInfo.isCurrentCell)return null;
var c=this.getSymmetryOperations(),f=new JU.Lst,e=null==a,b=0,g=0,h=0;e?(b=2.718281828459045,g=3.141592653589793,h=Math.log10(2E3),a=JU.P3.new3(b+1,g+2,h+3)):a=JU.P3.newP(a);if(null==c||null==this.unitCell)f.addLast(a);else{this.unitCell.toFractional(a,!0);var k=null,d=null;e&&(k=JU.P3.new3(g+4,h+5,b+6),this.unitCell.toFractional(k,!0),d=JU.P3.new3(h+7,b+8,g+9),this.unitCell.toFractional(d,!0));var g=new J.bspt.Bspt(3,0),h=g.allocateCubeIterator(),b=new JU.P3,j=c.length;a:for(;0<=--j;){c[j].rotate2(a,
b);h.initialize(b,0.001,!1);if(h.hasMoreElements())continue a;var q=JU.P3.newP(b);f.addLast(q);g.addTuple(q);e&&(null!=d&&(c[j].rotate2(d,b),f.addLast(JU.P3.newP(b))),null!=k&&(c[j].rotate2(k,b),f.addLast(JU.P3.newP(b))))}for(c=f.size();0<=--c;)b=f.get(c),e&&b.scale(0.5),this.unitCell.toCartesian(b,!0)}return f},"JU.P3");m(b,"calculateCIPChiralityForAtoms",function(a,c){a.setCursor(3);var f=this.getCIPChirality(a),e=a.getBoolean(603979960)?"CIPData":"CIPDataTracker",e=J.api.Interface.getInterface("JS."+
e,a,"script").set(a,c);e.setRule6Full(a.getBoolean(603979823));f.getChiralityForAtoms(e);a.setCursor(0)},"JV.Viewer,JU.BS");m(b,"calculateCIPChiralityForSmiles",function(a){this.vwr.setCursor(3);var c=this.getCIPChirality(this.vwr);a=J.api.Interface.getInterface("JS.CIPDataSmiles",this.vwr,"script").setAtomsForSmiles(this.vwr,a);c.getChiralityForAtoms(a);this.vwr.setCursor(0);return a.getSmilesChiralityArray()},"~S");d(b,"getCIPChirality",function(a){return null==this.cip?this.cip=J.api.Interface.getInterface("JS.CIPChirality",
a,"script"):this.cip},"JV.Viewer");m(b,"getUnitCellInfoMap",function(){return null==this.unitCell?null:this.unitCell.getInfo()});m(b,"setUnitCell",function(a){this.unitCell=JS.UnitCell.cloneUnitCell(a.unitCell)},"J.api.SymmetryInterface");m(b,"findSpaceGroup",function(a,c,f,e,b,g,h){return J.api.Interface.getInterface("JS.SpaceGroupFinder",a,"eval").findSpaceGroup(a,c,f,e,b,g,this,h)},"JV.Viewer,JU.BS,~S,~A,JU.T3,~A,~N");m(b,"setSpaceGroupName",function(a){this.clearSymmetryInfo();null!=this.spaceGroup&&
this.spaceGroup.setName(a)},"~S");m(b,"setSpaceGroupTo",function(a){this.clearSymmetryInfo();this.spaceGroup=I(a,"JS.SpaceGroup")?a:JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(this.vwr,a.toString())},"~O");d(b,"clearSymmetryInfo",function(){null!=this.symmetryInfo&&(this.symmetryInfo=null)});m(b,"removeDuplicates",function(a,c,f){var e=this.unitCell,b=a.at;a=a.occupancies;for(var g=null!=a,h=Array(c.length()),k=c.nextSetBit(0);0<=k;k=c.nextSetBit(k+1)){var d=h[k]=JU.P3.newP(b[k]);e.toFractional(d,
!1);f?e.unitizeRnd(d):e.unitize(d)}for(k=c.nextSetBit(0);0<=k;k=c.nextSetBit(k+1)){f=b[k];d=h[k];f=f.getAtomicAndIsotopeNumber();for(var e=g?a[k]:0,j=c.nextSetBit(k+1);0<=j;j=c.nextSetBit(j+1))f!=b[j].getAtomicAndIsotopeNumber()||g&&e!=a[j]||1.96E-6>d.distanceSquared(h[j])&&c.clear(j)}return c},"JM.ModelSet,JU.BS,~B");m(b,"getEquivPoints",function(a,c,f){var e=this.getSymmetryOperations();return null==e||null==this.unitCell?null:this.unitCell.getEquivPoints(c,f,e,null==a?new JU.Lst:a,0,0,0,this.getPeriodicity())},
"JU.Lst,JU.P3,~S");m(b,"getPeriodicity",function(){return null==this.spaceGroup?7:this.spaceGroup.periodicity});m(b,"getDimensionality",function(){return null==this.spaceGroup?3:this.spaceGroup.nDim});m(b,"getGroupType",function(){return null==this.spaceGroup?0:this.spaceGroup.groupType});m(b,"getEquivPointList",function(a,c,f,e){var b=null==e?this.getSymmetryOperations():e,g=0<=f.indexOf("newpt"),h=0<=f.indexOf("zapped"),k=a.size(),d=0<=f.indexOf("tofractional");if(0>f.indexOf("fromfractional"))for(var j=
0;j<a.size();j++)this.toFractional(a.get(j),!1);f+=",fromfractional,tofractional";var q=0<c?0:k,n=c==k,p=0<c?c:k;n&&(c--,p--);h&&(p=0);var B=0<c?a.get(c):null;e=null==e?p:q;if(null!=b||null!=this.unitCell)for(var s=this.getPeriodicity(),j=c;j<k;j++)this.unitCell.getEquivPoints(a.get(j),f,b,a,q,p,e,s);!h&&(a.size()==c||a.get(c)!==B||n||g)&&k--;for(j=k-c;0<=--j;)a.removeItemAt(c);if(!d)for(j=a.size();--j>=c;)this.toCartesian(a.get(j),!1)},"JU.Lst,~N,~S,~A");m(b,"getInvariantSymops",function(a,c){var f=
this.getSymmetryOperations();if(null==f)return O(0,0);for(var e=new JU.BS,b=new JU.P3,g=new JU.P3,h=f.length,k=1;k<h;k++)b.setT(a),this.unitCell.toFractional(b,!1),this.unitCell.unitize(b),g.setT(b),f[k].rotTrans(b),this.unitCell.unitize(b),1.96E-6>g.distanceSquared(b)&&e.set(k);f=O(e.cardinality(),0);if(null!=c&&f.length!=c.length)return null;b=0;for(k=1;k<h;k++)if(e.get(k)){if(null!=c&&c[b]!=k+1)return null;f[b++]=k+1}return f},"JU.P3,~A");m(b,"getWyckoffPosition",function(a,c,f){if(null==this.unitCell)return"";
var e=this.spaceGroup;null==e&&null!=this.symmetryInfo&&(e=JS.SpaceGroup.determineSpaceGroupN(this.symmetryInfo.sgName),null==e&&(e=this.getSpaceGroupJmolId(),null==e&&(e=this.getSpaceGroupClegId()),e=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(a,e)));if(null==e||null==e.itaNumber)return"?";null==c?c=JU.P3.new3(0.53,0.2,0.16):"L".equals(f)||(c=JU.P3.newP(c),this.unitCell.toFractional(c,!1),this.unitCell.unitize(c));try{var b=this.getWyckoffFinder().getWyckoffFinder(a,e),g=null!=f&&"M"==f.charAt(0);
g&&(f=1==f.length?null:f.substring(1));var h=null==f?-1:"L".equals(f)?-4:f.equalsIgnoreCase("coord")?-2:f.equalsIgnoreCase("coords")?-3:f.endsWith("*")?f.charAt(0).charCodeAt(0):0;if(0!=h)return null==b?"?":b.getInfo(this.unitCell,c,h,g,a.is2D());if(null==b.findPositionFor(c,f))return null;this.unitCell.toCartesian(c,!1);return c}catch(k){if(ha(k,Exception))return k.printStackTrace(),null==f?"?":null;throw k;}},"JV.Viewer,JU.P3,~S");d(b,"getWyckoffFinder",function(){null==JS.Symmetry.wyckoffFinder&&
(JS.Symmetry.wyckoffFinder=J.api.Interface.getInterface("JS.WyckoffFinder",null,"symmetry"));return JS.Symmetry.wyckoffFinder});m(b,"getTransform",function(a,c,f){return this.getDesc(null).getTransform(this.unitCell,this.getSymmetryOperations(),a,c,f)},"JU.P3,JU.P3,~B");m(b,"isWithinUnitCell",function(a,c,f,e){return this.unitCell.isWithinUnitCell(c,f,e,a)},"JU.P3,~N,~N,~N");m(b,"checkPeriodic",function(a){return this.unitCell.checkPeriodic(a)},"JU.P3");m(b,"staticConvertOperation",function(a,c,f){return JS.SymmetryOperation.staticConvertOperation(a,
c,f)},"~S,JU.M4,~S");m(b,"getSubgroupJSON",function(a,c,f,e,b,g,h){a.startsWith("ITA/")&&(a=a.substring(4));null!=c&&c.startsWith("ITA/")&&(c=c.substring(4));var k=JS.SpaceGroup.getExplicitSpecialGroupType(a);if(-1==k||(null==c||0==c.length?k:JS.SpaceGroup.getExplicitSpecialGroupType(a))!=k)return null;var d=0==k?a:a.substring(2);if(d.equalsIgnoreCase("all"))return this.getAllITSubData(k);d=JU.PT.parseInt(this.getSpaceGroupInfoObj("itaNumber",d,!1,!1));c=null==c?-1:0==c.length?0:JU.PT.parseInt(this.getSpaceGroupInfoObj("itaNumber",
0==k?c:c.substring(2),!1,!1));if(0!=b){f=JS.SpaceGroup.getGroupTypePrefix(k);var j=b>>24&255,q=b>>16&255,n=b>>8&255,p=b&255,B=this.getSubgroupIndexData(k);e=null==h?null:new JU.Lst;var s=new java.util.Stack,d=this.findSubTransform(d,c,j,q,n,p,B,1,1,1,JU.BSUtil.newAndSetBit(d),s,e);if(null==d?null==e:d.endsWith("!"))return d;c=d;p=0;for(q=null==e?1:e.size();p<q;p++){B=null==g?new java.util.Hashtable:g;null!=h&&B!==g&&h.addLast(B);null!=e&&(d=e.get(p));for(var s=d.$plit(">"),n=s.length,r=Array(n),m=
"",v="",A=1,x=0,j=n-3;0<=j;j-=2){x++;var D=f+s[j],w=s[j+2]=f+s[j+2],A=A*Integer.parseInt(s[j+1].substring(1,s[j+1].length-1));c=s[j+1]=this.getSubgroupJSON(D,w,0,1,0,null,null);m+=">"+c;r[j]=this.getSpaceGroupInfoObj("hmNameShort",D,!1,!1);r[j+1]="";j==n-3&&(r[j+2]=this.getSpaceGroupInfoObj("hmNameShort",w,!1,!1))}s[0]=f+s[0];for(j=0;j<n;j+=2)v+=">"+r[j];v=v.substring(1);n=this.convertTransform(m.substring(1),null);B.put("trm",this.convertTransform(null,n));B.put("trmat",n);B.put("index",Integer.$valueOf(A));
B.put("depth",Integer.$valueOf(x));B.put("indexPath",d);B.put("cleg",JU.PT.join(s,">",0));B.put("bcsPath",JU.PT.rep(v," ",""))}return c}var z=0>c,y=0==c&&0==f,H=0==c&&0>f;g=0==c&&0<f&&0>e;h=0==c&&0<f&&0<e;k=0<c&&0>f;b=0<c&&0<f&&0>e;var C=0<c&&0<f&&0<e;try{p=this.getSpaceGroupJSON("subgroups",a,d);for(a=0;null!=p;){if(z)return p;if(y||H){B=p.get("subgroups");q=B.size();m=y?JU.AU.newInt2(q):null;s=H?new JU.BS:null;for(j=q;0<=--j;)if(p=B.get(j),v=p.get("subgroup").intValue(),H)s.set(v);else{var D=p.get("subgroupIndex").intValue(),
w="k".equals(p.get("trType"))?2:1,G=1==w?p.get("trSubtype"):"",I=p.get("det").doubleValue(),$=F(1>I?-1/I:I);G.equals("ct")?w=3:G.equals("eu")&&(w=4);var P=p.get("trm").size();m[j]=O(-1,[v,P,D,$,w])}if(H){A=O(s.cardinality(),0);q=0;for(j=s.nextSetBit(0);0<=j;j=s.nextSetBit(j+1))A[q++]=j;return A}return m}B=p.get("subgroups");s=0;q=B.size();if(g||h){if(f>q)throw new ArrayIndexOutOfBoundsException("no map.subgroups["+f+"]!");s=f-1;if(g)return B.get(s);q=f}x=k?new JU.Lst:null;for(j=s;j<q;j++)if(p=B.get(j),
v=p.get("sg").intValue(),h||v==c){if(++a==f){if(b)return p}else if(C)continue;if(k)x.addLast(p);else{r=p.get("trms");q=r.size();if(1>e||e>q)return null;n=r.get(e-1);return n.get("trm")}}if(k&&!x.isEmpty())return x;break}if(0==f)return null;if(C&&0<a)throw new ArrayIndexOutOfBoundsException("only "+a+" maximal subgroup information for "+d+">>"+c+"!");throw new ArrayIndexOutOfBoundsException("no subgroup information for "+d+">>"+c+"!");}catch(E){if(ha(E,Exception))return E.getMessage();throw E;}},"~S,~S,~N,~N,~N,java.util.Map,JU.Lst");
d(b,"findSubTransform",function(a,c,f,e,b,g,h,d,l,j,q,n,p){l=h[a];if(0<b&&d>b)return null;for(var B=a==c&&1==d,s=B?2:3,r=0<d&&d<g?2:1;r<s;r++){var m=0,v=l.length;a:for(;m<v;m++){var A=l[m][0];if(!q.get(A)||B){var x=l[m][1],D=x*j;if(!(D>f))switch(r){case 1:if(A==c){if(D<e)continue;D="";m=0;for(v=n.size();m<v;m++)var w=n.get(m),D=D+(w[0]+">["+w[1]+"]>");D+=a+">["+x+"]>"+A;if(null!=p){p.addLast(D);break a}return D}break;case 2:if(A!=c&&!q.get(A)&&(w=JU.BSUtil.copy(q),w.set(A),n.push(O(-1,[a,x])),D=this.findSubTransform(A,
c,f,e,b,g,h,d+1,x,D,w,n,p),n.pop(),null!=D&&null==p))return D}}}}return null},"~N,~N,~N,~N,~N,~N,~A,~N,~N,~N,JU.BS,java.util.Stack,JU.Lst");m(b,"getSpaceGroupJSON",function(a,c,f){var e=f,b=a.equals("setting"),g=a.equals("settings"),h=a.equalsIgnoreCase("AFLOWLIB"),d=!g&&a.equals("subgroups"),l=(b||g||d)&&-2147483648==f,j=!g&&!b&&!d?a:l?this.getSpaceGroupName():""+f;try{var q,n=null==c?0:JS.SpaceGroup.getExplicitSpecialGroupType(c);0<n&&(c=c.substring(2));var p=null,m,s,r;if(b&&null==c||g||d)if(s=
!0,r=b?c:null,l){if(q=JU.PT.parseInt(this.getIntTableNumber()),b||g)if(null==this.spaceGroup){var t=this.symmetryInfo.getDerivedSpaceGroup();if(null==t)return new java.util.Hashtable;r=t.jmolId}else r=this.getSpaceGroupClegId(),b?p=r.substring(r.indexOf(":")+1):g&&(f=0)}else q=f;else{h||(f=0);r=c;var v=r.indexOf("(");0>v&&(v=r.indexOf(":"));if(m=0<=v&&r.indexOf(",")>v)p=r.substring(v+1,r.length-(r.endsWith(")")?1:0)),r=r.substring(0,v),l=!0;q=r.equalsIgnoreCase("ALL")?0:JU.PT.parseInt(r);s=-2147483648!=
q;v=r.indexOf(".");!m&&(s&&0==f&&0<v)&&(f=JU.PT.parseInt(r.substring(v+1)),r=r.substring(0,v))}if(s&&(q>JS.SpaceGroup.getMax(n)||(g||b?1>q:0>q)))throw new ArrayIndexOutOfBoundsException(q);if(d){var A=this.getITSubJSONResource(n,q);if(null!=A)return A}else if(b||g||a.equalsIgnoreCase("ITA")){if(0==q)return JS.Symmetry.getAllITAData(this.vwr,n,!0);var x=0<n,A=JS.Symmetry.getITJSONResource(this.vwr,n,1>q?e:q,c);if(null!=A){if(0==f&&null==p)return g?A.get("its"):A;var D=A.get("its");if(null!=D){if(g&&
!l)return D;var w=D.size(),z=b?Math.max(f,1):s&&!l?f:w;if(z>w)return null;if(b)return D.get(z-1);for(var w=null,y=z;0<=--y;){w=D.get(y);if(y==f-1||(null==p?x?JS.SpaceGroup.hmMatches(w.get("hm"),r,n):r.equals(w.get("jmolId")):p.equals(w.get("trm")))){if(!w.containsKey("more"))return w;break}w=null}if(null!=w)return JS.SpaceGroup.fillMoreData(this.vwr,w,c,q,D.get(0))}}}else if(h&&null==p){null==JS.Symmetry.aflowStructures&&(JS.Symmetry.aflowStructures=JS.Symmetry.getResource(this.vwr,"sg/json/aflow_structures.json"));
if(0==q)return JS.Symmetry.aflowStructures;if(-2147483648==q){c=null;r.endsWith("*")&&(c=new JU.Lst,r=r.substring(0,r.length-1));for(f=1;230>=f;f++){x=JS.Symmetry.aflowStructures.get(""+f);y=0;for(w=x.size();y<w;y++){var H=x.get(y);if(null!=c&&H.startsWith(r))c.addLast("=aflowlib/"+f+"."+(y+1)+"\t"+H);else if(H.equalsIgnoreCase(r))return f+"."+(y+1)}}return null!=c&&0<c.size()?c:null}var C=JS.Symmetry.aflowStructures.get(""+r);if(f<=C.size())return 0==f?C:C.get(f-1)}if(l)return new java.util.Hashtable;
throw new IllegalArgumentException(j);}catch(G){if(ha(G,Exception))return G.getMessage();throw G;}},"~S,~S,~N");b.getITJSONResource=d(b,"getITJSONResource",function(a,c,f,e){if(0==c)return null==JS.Symmetry.itaData&&(JS.Symmetry.itaData=Array(230)),c=JS.Symmetry.itaData[f-1],null==c&&(JS.Symmetry.itaData[f-1]=c=JS.Symmetry.getResource(a,"sg/json/ita_"+f+".json")),c;a=JS.Symmetry.getAllITAData(a,c,!1);return 0<f?a[f-1]:JS.Symmetry.getSpecialSettingJSON(a,e,c,!1)},"JV.Viewer,~N,~N,~S");b.getSpecialSettingJSON=
d(b,"getSpecialSettingJSON",function(a,c,f,e){var b=null,g=Character.isDigit(c.charAt(2));g&&c.endsWith(";0,0,0")&&(c=c.substring(0,c.length-6));var h=g?"clegId":"hm";g||(c=c.substring(2));for(var d=a.length;0<=--d;)for(var l=a[d].get("its"),j=l.size();0<=--j;){var b=l.get(j),q=b.get(h);if(g?c.equals(q):JS.SpaceGroup.hmMatches(q,c,f))return e?b:a[d]}return null},"~A,~S,~N,~B");b.getAllITAData=d(b,"getAllITAData",function(a,c,f){switch(c){case 0:return null==JS.Symmetry.allDataITA&&(JS.Symmetry.allDataITA=
JS.Symmetry.getResource(a,"sg/json/ita_all.json")),JS.Symmetry.allDataITA;default:var e="sg/json/it"+(300==c?"a":"e")+"_all_"+JS.SpaceGroup.getSpecialGroupName(c)+".json";switch(c){case 300:return null==JS.Symmetry.allPlaneData&&(JS.Symmetry.allPlaneData=JS.Symmetry.getResource(a,e),JS.Symmetry.planeData=JS.Symmetry.createSpecialData(c,JS.Symmetry.allPlaneData)),f?JS.Symmetry.allPlaneData:JS.Symmetry.planeData;case 400:return null==JS.Symmetry.allLayerData&&(JS.Symmetry.allLayerData=JS.Symmetry.getResource(a,
e),JS.Symmetry.layerData=JS.Symmetry.createSpecialData(c,JS.Symmetry.allLayerData)),f?JS.Symmetry.allLayerData:JS.Symmetry.layerData;case 500:return null==JS.Symmetry.allRodData&&(JS.Symmetry.allRodData=JS.Symmetry.getResource(a,e),JS.Symmetry.rodData=JS.Symmetry.createSpecialData(c,JS.Symmetry.allRodData)),f?JS.Symmetry.allRodData:JS.Symmetry.rodData;case 600:return null==JS.Symmetry.allFriezeData&&(JS.Symmetry.allFriezeData=JS.Symmetry.getResource(a,e),JS.Symmetry.friezeData=JS.Symmetry.createSpecialData(c,
JS.Symmetry.allFriezeData)),f?JS.Symmetry.allFriezeData:JS.Symmetry.friezeData}}return null},"JV.Viewer,~N,~B");b.createSpecialData=d(b,"createSpecialData",function(a,c){for(var f=JS.SpaceGroup.getMax(a),e=Array(f),b=0;b<f;b++)e[b]=new java.util.Hashtable,e[b].put("sg",Integer.$valueOf(b+1)),e[b].put("its",new JU.Lst);for(var b=0,g=c.size();b<g;b++){var h=c.get(b),d=h.get("sg").intValue();e[d-1].get("its").addLast(h)}for(b=0;b<f;b++)e[b].put("n",Integer.$valueOf(e[b].get("its").size()));return e},
"~N,JU.Lst");d(b,"getAllITSubData",function(a){switch(a){default:case 0:return null;case 300:return null==JS.Symmetry.planeSubData&&(JS.Symmetry.planeSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_plane.json")),JS.Symmetry.planeSubData;case 400:return null==JS.Symmetry.layerSubData&&(JS.Symmetry.layerSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_layer.json")),JS.Symmetry.layerSubData;case 500:return null==JS.Symmetry.rodSubData&&(JS.Symmetry.rodSubData=JS.Symmetry.getResource(this.vwr,
"sg/json/sub_all_rod.json")),JS.Symmetry.rodSubData;case 600:return null==JS.Symmetry.friezeSubData&&(JS.Symmetry.friezeSubData=JS.Symmetry.getResource(this.vwr,"sg/json/sub_all_frieze.json")),JS.Symmetry.friezeSubData}},"~N");d(b,"getITSubJSONResource",function(a,c){if(0==a){null==JS.Symmetry.itaSubData&&(JS.Symmetry.itaSubData=Array(230));var f=JS.Symmetry.itaSubData[c-1];null==f&&(JS.Symmetry.itaSubData[c-1]=f=JS.Symmetry.getResource(this.vwr,"sg/json/sub_"+c+".json"));return f}return this.getAllITSubData(a).get(c-
1)},"~N,~N");d(b,"getSubgroupIndexData",function(a){var c=JS.SpaceGroup.getSpecialGroupName(a),f=JS.SpaceGroup.getMax(a);switch(a){default:case 0:null==JS.Symmetry.itaSubList&&(JS.Symmetry.itaSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.itaSubList;break;case 300:null==JS.Symmetry.planeSubList&&(JS.Symmetry.planeSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.planeSubList;break;case 400:null==JS.Symmetry.layerSubList&&(JS.Symmetry.layerSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.layerSubList;break;case 500:null==
JS.Symmetry.rodSubList&&(JS.Symmetry.rodSubList=JU.AU.newInt3(f+1,0));f=JS.Symmetry.rodSubList;break;case 600:null==JS.Symmetry.friezeSubList&&(JS.Symmetry.friezeSubList=JU.AU.newInt3(f+1,0)),f=JS.Symmetry.friezeSubList}a=JS.Symmetry.getResource(this.vwr,"sg/json/sub_"+(0==a?"":c+"_")+"index.json");for(c=a.size();0<=--c;)for(var e=a.get(c),b=F(e.size()/2),g=f[c+1]=JU.AU.newInt2(b),h=0,d=0;h<b;h++)g[h]=O(-1,[e.get(d++).intValue(),e.get(d++).intValue()]);return f},"~N");b.getResource=d(b,"getResource",
function(a,c){try{var f=JV.FileManager.getBufferedReaderForResource(a,JS.Symmetry,"JS/",c),e=Array(1);if(JU.Rdr.readAllAsString(f,2147483647,!1,e,0))return(new JU.JSJSONParser).parse(e[0],!0)}catch(b){System.err.println(b.getMessage())}return null},"JV.Viewer,~S");m(b,"getCellWeight",function(a){return this.unitCell.getCellWeight(a)},"JU.P3");m(b,"getPrecision",function(){return null==this.unitCell?NaN:this.unitCell.getPrecision()});m(b,"fixUnitCell",function(a){return this.spaceGroup.createCompatibleUnitCell(a,
null,!0)},"~A");m(b,"staticGetTransformABC",function(a,c){return JS.SymmetryOperation.getTransformABC(a,c)},"~O,~B");d(b,"setCartesianOffset",function(a){this.unitCell.setCartesianOffset(a)},"JU.T3");d(b,"setSymmetryInfoFromFile",function(a,c,f){var e=a.getModelAuxiliaryInfo(c);this.symmetryInfo=new JS.SymmetryInfo;f=this.symmetryInfo.setSymmetryInfoFromFile(e,f);null!=f&&(this.setUnitCellFromParams(f,e.containsKey("jmolData"),this.symmetryInfo.slop),this.unitCell.setMoreInfo(e.get("moreUnitCellInfo")),
e.put("infoUnitCell",this.getUnitCellAsArray(!1)),this.setOffsetPt(e.get("unitCellOffset")),e=e.get("matUnitCellOrientation"),null!=e&&this.initializeOrientation(e),null!=this.symmetryInfo.strSUPERCELL&&(e=this.unitCell.getUnitCellVectors(),e[0]=new JU.P3,a.setModelCagePts(c,e,"conventional")),JU.Logger.debugging&&JU.Logger.debug("symmetryInfos["+c+"]:\n"+this.unitCell.dumpInfo(!0,!0)))},"JM.ModelSet,~N,~A");d(b,"transformUnitCell",function(a){null==a&&(a=JS.UnitCell.toTrm(this.spaceGroup.itaTransform,
null));var c=JU.M4.newM4(a);c.invert();for(var f=this.getUnitCellVectors(),e=1;3>=e;e++)this.toFractional(f[e],!0),c.rotate(f[e]),this.toCartesian(f[e],!0);c=new JU.P3;a.getTranslation(c);this.toCartesian(c,!0);f[0].add(c);this.unitCell=JS.UnitCell.fromOABC(f,!1)},"JU.M4");m(b,"staticCleanTransform",function(a){return JS.SymmetryOperation.getTransformABC(JS.UnitCell.toTrm(a,null),!0)},"~S");m(b,"saveOrRetrieveTransformMatrix",function(a){var c=this.transformMatrix;this.transformMatrix=a;return c},
"JU.M4");m(b,"getUnitCellDisplayName",function(){var a=null!=this.spaceGroup?this.spaceGroup.getDisplayName():null!=this.symmetryInfo?this.symmetryInfo.getDisplayName(this):null;return 0<a.length?a:null});m(b,"staticToRationalXYZ",function(a,c){var f=JS.SymmetryOperation.fcoord(a,c);return",".equals(c)?f:"("+f+")"},"JU.P3,~S");m(b,"getFinalOperationCount",function(){this.setFinalOperations(3,null,null,-1,-1,!1,null);return this.spaceGroup.getOperationCount()});m(b,"convertTransform",function(a,c){if(null==
a)return this.staticGetTransformABC(c,!1);if(a.equals("xyz"))return null==c?null:JS.SymmetryOperation.getXYZFromMatrix(c,!1,!1,!1);null==c&&(c=new JU.M4);JS.UnitCell.getMatrixAndUnitCell(this.vwr,0<=a.indexOf("*")?this.unitCell:null,a,c);return c},"~S,JU.M4");m(b,"staticGetMatrixTransform",function(a,c){return this.getCLEGInstance().getMatrixTransform(this.vwr,a,c)},"~S,~O");m(b,"staticTransformSpaceGroup",function(a,c,f,e){return this.getCLEGInstance().transformSpaceGroup(this.vwr,a,c,f,e)},"JU.BS,~S,~O,JU.SB");
d(b,"getCLEGInstance",function(){null==JS.Symmetry.clegInstance&&(JS.Symmetry.clegInstance=J.api.Interface.getInterface("JS.CLEG",null,"symmetry"));return JS.Symmetry.clegInstance});m(b,"setViewer",function(a,c){null==this.vwr&&(this.vwr=a,this.id=c);return this},"JV.Viewer,~S");m(b,"getUnitCellCenter",function(){return this.unitCell.getCenter(this.getPeriodicity())});b.getSGFactory=d(b,"getSGFactory",function(){null==JS.Symmetry.groupFactory&&(JS.Symmetry.groupFactory=J.api.Interface.getInterface("JS.SpecialGroupFactory",
null,"symmetry"));return JS.Symmetry.groupFactory});b.getSpecialSettingInfo=d(b,"getSpecialSettingInfo",function(a,c,f){var e=c.substring(2),b=e.indexOf(":"),g=e.indexOf(","),h=e.indexOf("."),h=0<b&&g>b?b:h,g=JS.SpaceGroup.getITNo(e,h),e=0<h&&h==b||0>g?0:0<h?JS.SpaceGroup.getITNo(e.substring(h+1),0):1;a=JS.Symmetry.getAllITAData(a,f,!1);if(0>=e)return JS.Symmetry.getSpecialSettingJSON(a,c,f,!0);c=a[g-1].get("its");return e<=c.size()?c.get(e-1):null},"JV.Viewer,~S,~N");m(b,"getConstrainableEquivAtom",
function(a){for(var c=this.vwr.ms.getSymmetryEquivAtoms(JU.BSUtil.newAndSetBit(a.i),this,null),f=this.getSymmetryOperations(),e=a,b=9999;0<=b;b=c.nextSetBit(b+1)){if(null==e){if(e=this.vwr.ms.at[b],e===a)continue}else 9999==b&&(b=-1);var g=this.getInvariantSymops(e,null);if(0<g.length)switch(f[g[0]-1].getOpType()){case 2:case 8:return e}e=null}return a},"JM.Atom");m(b,"setSpinAxisAngle",function(a){null!=this.unitCell&&this.unitCell.setSpinAxisAngle(a)},"JU.A4");m(b,"getSpinIndex",function(a){var c=
this.getSymmetryOperations();a=null==c||a>c.length?-1:c[a].spinIndex;System.out.println("SYM "+a);return a},"~N");m(b,"getSpinList",function(){return null==this.spaceGroup?null:this.spaceGroup.spinList});b.nullDesc=null;b.aflowStructures=null;b.itaData=null;b.itaSubData=null;b.planeData=null;b.layerData=null;b.rodData=null;b.friezeData=null;b.itaSubList=null;b.planeSubList=null;b.layerSubList=null;b.rodSubList=null;b.friezeSubList=null;b.allDataITA=null;b.allPlaneData=null;b.allLayerData=null;b.allRodData=
null;b.allFriezeData=null;b.planeSubData=null;b.layerSubData=null;b.rodSubData=null;b.friezeSubData=null;b.wyckoffFinder=null;b.clegInstance=null;b.groupFactory=null});V("JS");da(["JU.M3","$.V3"],"JS.PointGroup","java.util.Hashtable JU.Lst $.P3 $.PT $.Quat $.SB J.bspt.Bspt JU.BSUtil $.Escape $.Logger $.Point3fi".split(" "),function(){var b=L(function(){this.isAtoms=!1;this.iter=this.textInfo=this.info=this.drawInfo=null;this.drawType="";this.drawIndex=0;this.scale=NaN;this.axes=this.nAxes=null;this.radius=
this.nAtoms=0;this.distanceTolerance=0.25;this.distanceTolerance2=0;this.linearTolerance=8;this.cosTolerance=0.99;this.name="C_1?";this.principalPlane=this.principalAxis=null;this.convention=0;this.vTemp=null;this.centerAtomIndex=-1;this.haveInversionCenter=!1;this.bsAtoms=this.atomMap=this.elements=this.points=this.center=null;this.$isLinear=this.localEnvOnly=this.haveVibration=!1;this.sppa=0;this.maxAtoms=250;this.maxElement=0;this.eCounts=null;this.nOps=0;Da("JS.PointGroup.Operation")||JS.PointGroup.$PointGroup$Operation$();
Q(this,arguments)},JS,"PointGroup",null);la(b,function(){this.nAxes=O(JS.PointGroup.maxAxis,0);this.axes=Array(JS.PointGroup.maxAxis);this.vTemp=new JU.V3});Z(b,function(a){this.convention=a?1:0},"~B");d(b,"getName",function(){return this.getConventionalName(this.name)});d(b,"getHermannMauguinName",function(){return JS.PointGroup.getHMfromSFName(this.name)});d(b,"getConventionalName",function(a){return 1==this.convention?JS.PointGroup.getHMfromSFName(a):a},"~S");b.getPointGroup=d(b,"getPointGroup",
function(a,c,f,e,b,g,h,d,l,j,q){j=new JS.PointGroup(j);0>=g&&(g=0.01);0>=h&&(h=0.5);0>=d&&(d=250);j.distanceTolerance=g;j.distanceTolerance2=g*g;j.linearTolerance=h;j.maxAtoms=d;j.isAtoms=null!=e;j.bsAtoms=j.isAtoms?e:JU.BSUtil.newBitSet2(0,f.length);j.haveVibration=b;j.center=c;j.localEnvOnly=l;j.sppa=q;JU.Logger.debugging&&(a=null);return j.set(a,f)?j:a},"JS.PointGroup,JU.T3,~A,JU.BS,~B,~N,~N,~N,~B,~B,~N");d(b,"isEqual",function(a){if(null==a||(this.convention!=a.convention||this.linearTolerance!=
a.linearTolerance||this.distanceTolerance!=a.distanceTolerance||this.nAtoms!=a.nAtoms||this.localEnvOnly!=a.localEnvOnly||this.haveVibration!=a.haveVibration||null==this.bsAtoms?null!=a.bsAtoms:!this.bsAtoms.equals(a.bsAtoms)))return!1;for(var c=0;c<this.nAtoms;c++)if(this.elements[c]!=a.elements[c]||!this.points[c].equals(a.points[c]))return!1;return!0},"JS.PointGroup");d(b,"set",function(a,c){this.cosTolerance=Math.cos(3.141592653589793*(this.linearTolerance/180));if(!this.getPointsAndElements(c))return JU.Logger.error("Too many atoms for point group calculation"),
this.name="point group not determined -- ac > "+this.maxAtoms+" -- select fewer atoms and try again.",!0;this.getElementCounts();if(this.haveVibration){for(var f=Array(this.points.length),e=this.points.length;0<=--e;){f[e]=JU.P3.newP(this.points[e]);var b=this.points[e].getVibrationVector();null!=b&&f[e].add(b)}this.points=f}if(this.isEqual(a))return!1;try{this.findInversionCenter();if(this.$isLinear=this.isLinear(this.points))return this.name=this.haveInversionCenter?"D(infinity)h":"C(infinity)v",
this.vTemp.sub2(this.points[1],this.points[0]),this.addAxis(16,this.vTemp),this.principalAxis=this.axes[16][0],this.haveInversionCenter&&(this.axes[0]=Array(1),this.principalPlane=this.axes[0][this.nAxes[0]++]=pa(JS.PointGroup.Operation,this,null,this.vTemp)),!0;this.axes[0]=Array(15);f=0;this.findCAxes();f=this.findPlanes();this.findAdditionalAxes(f);var g=this.getHighestOrder();if(1<this.nAxes[17])this.name=1<this.nAxes[19]?this.haveInversionCenter?"Ih":"I":1<this.nAxes[18]?this.haveInversionCenter?
"Oh":"O":0<f?this.haveInversionCenter?"Th":"Td":"T";else if(2>g){if(1==f)return this.name="Cs",!0;if(this.haveInversionCenter)return this.name="Ci",!0;this.name="C1"}else 1==g%2&&0<this.nAxes[16]||0==g%2&&1<this.nAxes[16]?(this.principalAxis=this.setPrincipalAxis(g,f),0==f?this.name=14>g?"S"+g:"D"+(g-14):(g=14>g?F(g/2):g-14,this.name=f==g?"D"+g+"d":"D"+g+"h")):0==f?(this.principalAxis=this.axes[g][0],this.name=14>g?"S"+g:"C"+(g-14)):f==g-14?(this.principalAxis=this.axes[g][0],this.name="C"+f+"v"):
(this.principalAxis=this.axes[14>g?g+14:g][0],this.principalPlane=this.axes[0][0],this.name="C"+(14>g?g/2:g-14)+"h")}catch(h){if(ha(h,Exception))this.name="??";else throw h;}finally{JU.Logger.info("Point group found: "+this.name)}return!0},"JS.PointGroup,~A");d(b,"setPrincipalAxis",function(a,c){var f=this.setPrincipalPlane(a,c);if(0==c&&14>a||1==this.nAxes[a])return this.axes[a][0];if(null==f)return null;for(var e=0;e<this.nAxes[16];e++)if(this.isParallel(f.normalOrAxis,this.axes[16][e].normalOrAxis))return 0!=
e&&(f=this.axes[16][0],this.axes[16][0]=this.axes[16][e],this.axes[16][e]=f),this.axes[16][0];return null},"~N,~N");d(b,"setPrincipalPlane",function(a,c){if(1==c)return this.principalPlane=this.axes[0][0];if(0==c||c==a-14)return null;for(var f=0;f<c;f++)for(var e=0,b=0;e<c;e++)if(this.isPerpendicular(this.axes[0][f].normalOrAxis,this.axes[0][e].normalOrAxis)&&2<++b)return 0!=f&&(e=this.axes[0][0],this.axes[0][0]=this.axes[0][f],this.axes[0][f]=e),this.principalPlane=this.axes[0][0];return null},"~N,~N");
d(b,"getPointsAndElements",function(a){var c=this.bsAtoms.cardinality();if(this.isAtoms&&c>this.maxAtoms)return!1;this.points=Array(c);this.elements=O(c,0);if(0==c)return!0;for(var f=0,c=this.bsAtoms.nextSetBit(0);0<=c;c=this.bsAtoms.nextSetBit(c+1)){var e=a[c];I(e,"JU.Node")&&(f=Math.max(f,e.i))}this.atomMap=O(f+1,0);this.nAtoms=0;if(f=null==this.center)this.center=new JU.P3;for(var b=new J.bspt.Bspt(3,0),c=this.bsAtoms.nextSetBit(0);0<=c;c=this.bsAtoms.nextSetBit(c+1),this.nAtoms++){e=a[c];if(I(e,
"JU.Node")){var g=this.localEnvOnly?1:1+Math.max(3,e.getCovalentBondCount());this.elements[this.nAtoms]=e.getElementNumber()*g;this.atomMap[e.i]=this.nAtoms+1}else g=new JU.Point3fi,g.setT(e),g.i=-1-this.nAtoms,I(e,"JU.Point3fi")&&(this.elements[this.nAtoms]=Math.max(0,e.sD)),e=g;b.addTuple(e);f&&this.center.add(e);this.points[this.nAtoms]=e}this.iter=b.allocateCubeIterator();f&&this.center.scale(1/this.nAtoms);for(c=this.nAtoms;0<=--c;)a=this.center.distanceSquared(this.points[c]),this.isAtoms&&
a<this.distanceTolerance2&&(this.centerAtomIndex=c),this.radius=Math.max(this.radius,a);this.radius=Math.sqrt(this.radius);1.5>this.radius&&0.15<this.distanceTolerance&&(this.distanceTolerance=this.radius/10,this.distanceTolerance2=this.distanceTolerance*this.distanceTolerance,System.out.println("PointGroup calculation adjusting distanceTolerance to "+this.distanceTolerance));return!0},"~A");d(b,"findInversionCenter",function(){if(this.haveInversionCenter=this.checkOperation(null,this.center,-1))this.axes[1]=
Array(1),this.axes[1][0]=pa(JS.PointGroup.Operation,this,null)});d(b,"checkOperation",function(a,c,f){var e=new JU.P3,b=0;f=14>f;var g=this.points.length,h=g;a:for(;0<=--h&&b<g;)if(h!=this.centerAtomIndex){var d=this.points[h],l=this.elements[h];null!=a?(e.sub2(d,c),a.transform2(e,e).add(c)):e.setT(d);f&&(this.vTemp.sub2(c,e),e.scaleAdd2(2,this.vTemp,e));if((null!=a||f)&&e.distanceSquared(d)<this.distanceTolerance2)b++;else{for(this.iter.initialize(e,this.distanceTolerance,!1);this.iter.hasMoreElements();){var j=
this.iter.nextElement();if(j!==d){var q=this.getPointIndex(j.i);if(!(0<=this.centerAtomIndex&&q==this.centerAtomIndex||q>=this.elements.length||this.elements[q]!=l)&&e.distanceSquared(j)<this.distanceTolerance2){b++;continue a}}}return!1}}return!0},"JU.Quat,JU.T3,~N");d(b,"getPointIndex",function(a){return(0>a?-a:this.atomMap[a])-1},"~N");d(b,"isLinear",function(a){var c=null;if(2>a.length)return!1;for(var f=a.length;0<=--f;)if(f!=this.centerAtomIndex)if(null==c)c=new JU.V3,c.sub2(a[f],this.center),
c.normalize(),this.vTemp.setT(c);else if(this.vTemp.sub2(a[f],this.center),this.vTemp.normalize(),!this.isParallel(c,this.vTemp))return!1;return!0},"~A");d(b,"isParallel",function(a,c){return Math.abs(a.dot(c))>=this.cosTolerance},"JU.V3,JU.V3");d(b,"isPerpendicular",function(a,c){return Math.abs(a.dot(c))<=1-this.cosTolerance},"JU.V3,JU.V3");d(b,"getElementCounts",function(){for(var a=this.points.length;0<=--a;){var c=this.elements[a];c>this.maxElement&&(this.maxElement=c)}this.eCounts=O(++this.maxElement,
0);for(a=this.points.length;0<=--a;)this.eCounts[this.elements[a]]++});d(b,"findCAxes",function(){for(var a=new JU.V3,c=new JU.V3,f=new JU.V3,e=this.points.length;0<=--e;)if(e!=this.centerAtomIndex)for(var b=this.points[e],g=this.elements[e],h=this.points.length;--h>e;){var d=this.points[h];if(this.elements[h]==g)if(a.sub2(b,this.center),c.sub2(d,this.center),a.normalize(),c.normalize(),this.isParallel(a,c))this.getAllAxes(a);else{this.nAxes[16]<JS.PointGroup.axesMaxN[16]&&(f.ave(b,d),f.sub(this.center),
this.getAllAxes(f));var d=6.283185307179586/a.angle(c),l=F(Math.floor(d+0.01));if(0.02>=d-l&&!((l+=14)>=JS.PointGroup.maxAxis)&&this.nAxes[l]<JS.PointGroup.axesMaxN[l])f.cross(a,c),this.checkAxisOrder(l,f,this.center)}}b=Array(2*this.nAxes[16]);for(e=0;e<b.length;e++)b[e]=new JU.V3;for(e=h=0;e<this.nAxes[16];e++)b[h++].setT(this.axes[16][e].normalOrAxis),b[h].setT(this.axes[16][e].normalOrAxis),b[h++].scale(-1);for(e=b.length;2<=--e;)for(h=e;1<=--h;)for(g=h;0<=--g;)f.add2(b[e],b[h]),f.add(b[g]),1>
f.length()||this.checkAxisOrder(17,f,this.center);h=2147483647;b=-1;for(e=0;e<this.maxElement;e++)this.eCounts[e]<h&&2<this.eCounts[e]&&(h=this.eCounts[e],b=e);e=0;a:for(;e<this.points.length-2;e++)if(this.elements[e]==b)for(h=e+1;h<this.points.length-1;h++)if(this.elements[h]==b)for(g=h+1;g<this.points.length;g++)if(this.elements[g]==b&&(a.sub2(this.points[e],this.points[h]),c.sub2(this.points[e],this.points[g]),a.normalize(),c.normalize(),f.cross(a,c),this.getAllAxes(f),a.add2(this.points[e],this.points[h]),
a.add(this.points[g]),a.normalize(),this.isParallel(a,f)||this.getAllAxes(a),this.nAxes[19]==JS.PointGroup.axesMaxN[19]))break a;b=Array(this.maxElement);for(e=this.points.length;0<=--e;){g=this.elements[e];if(null==b[g])b[g]=new JU.V3;else if(this.haveInversionCenter)continue;b[g].add(this.points[e])}if(!this.haveInversionCenter)for(e=0;e<this.maxElement;e++)null!=b[e]&&b[e].scale(1/this.eCounts[e]);for(e=0;e<this.maxElement;e++)if(null!=b[e])for(h=0;h<this.maxElement;h++)e==h||null==b[h]||(this.haveInversionCenter?
a.cross(b[e],b[h]):a.sub2(b[e],b[h]),this.checkAxisOrder(16,a,this.center));return this.getHighestOrder()});d(b,"getAllAxes",function(a){for(var c=16;c<JS.PointGroup.maxAxis;c++)this.nAxes[c]<JS.PointGroup.axesMaxN[c]&&this.checkAxisOrder(c,a,this.center)},"JU.V3");d(b,"getHighestOrder",function(){for(var a=0,a=14;1<--a&&0==this.nAxes[a];);if(1<a)return a+14<JS.PointGroup.maxAxis&&0<this.nAxes[a+14]?a+14:a;for(a=JS.PointGroup.maxAxis;1<--a&&0==this.nAxes[a];);return a});d(b,"checkAxisOrder",function(a,
c,f){switch(a){case 22:if(0<this.nAxes[17])return!1;case 20:case 18:if(0<this.nAxes[19])return!1;break;case 17:if(0<this.nAxes[22])return!1;break;case 19:if(0<this.nAxes[18]||0<this.nAxes[20]||0<this.nAxes[22])return!1}c.normalize();if(this.haveAxis(a,c))return!1;var e=JS.PointGroup.getQuaternion(c,a);if(!this.checkOperation(e,f,a))return!1;this.addAxis(a,c);switch(a){case 16:this.checkAxisOrder(4,c,f);break;case 17:this.checkAxisOrder(3,c,f);this.haveInversionCenter&&this.addAxis(6,c);break;case 18:this.addAxis(16,
c);this.checkAxisOrder(4,c,f);this.checkAxisOrder(8,c,f);break;case 19:this.checkAxisOrder(5,c,f);this.haveInversionCenter&&this.addAxis(10,c);break;case 20:this.addAxis(16,c);this.addAxis(17,c);this.checkAxisOrder(3,c,f);this.checkAxisOrder(6,c,f);this.checkAxisOrder(12,c,f);break;case 22:this.addAxis(16,c),this.addAxis(18,c)}return!0},"~N,JU.V3,JU.T3");d(b,"addAxis",function(a,c){this.haveAxis(a,c)||(null==this.axes[a]&&(this.axes[a]=Array(JS.PointGroup.axesMaxN[a])),this.axes[a][this.nAxes[a]++]=
pa(JS.PointGroup.Operation,this,null,c,a))},"~N,JU.V3");d(b,"haveAxis",function(a,c){if(this.nAxes[a]==JS.PointGroup.axesMaxN[a])return!0;if(0<this.nAxes[a])for(var f=this.nAxes[a];0<=--f;)if(this.isParallel(c,this.axes[a][f].normalOrAxis))return!0;return!1},"~N,JU.V3");d(b,"findPlanes",function(){for(var a=new JU.P3,c=new JU.V3,f=new JU.V3,e=new JU.V3,b=0,g=1<this.getHighestOrder(),h=this.points.length;0<=--h;)if(h!=this.centerAtomIndex)for(var d=this.points[h],l=this.elements[h],j=this.points.length;--j>
h;)if(!(g&&this.elements[j]!=l)&&(b=this.points[j],a.add2(d,b),a.scale(0.5),c.sub2(d,this.center),f.sub2(b,this.center),c.normalize(),f.normalize(),this.isParallel(c,f)||(e.cross(c,f),e.normalize(),this.getPlane(e)),e.sub2(b,d),e.normalize(),b=this.getPlane(e),b==JS.PointGroup.axesMaxN[0]))return b;if(g)for(h=16;h<JS.PointGroup.maxAxis;h++)for(j=0;j<this.nAxes[h];j++)b=this.getPlane(this.axes[h][j].normalOrAxis);return b});d(b,"getPlane",function(a){!this.haveAxis(0,a)&&this.checkOperation(JU.Quat.newVA(a,
180),this.center,-1)&&(this.axes[0][this.nAxes[0]++]=pa(JS.PointGroup.Operation,this,null,a));return this.nAxes[0]},"JU.V3");d(b,"findAdditionalAxes",function(a){var c=this.axes[0],f=0;if(1<a&&(f=a+14)<JS.PointGroup.maxAxis&&0==this.nAxes[f])this.vTemp.cross(c[0].normalOrAxis,c[1].normalOrAxis),!this.checkAxisOrder(f,this.vTemp,this.center)&&2<a&&(this.vTemp.cross(c[1].normalOrAxis,c[2].normalOrAxis),this.checkAxisOrder(f-1,this.vTemp,this.center));if(0==this.nAxes[16]&&2<a)for(f=0;f<a-1;f++)for(var e=
f+1;e<a;e++)this.vTemp.add2(c[1].normalOrAxis,c[2].normalOrAxis),this.checkAxisOrder(16,this.vTemp,this.center)},"~N");b.getQuaternion=d(b,"getQuaternion",function(a,c){return JU.Quat.newVA(a,(14>c?180:0)+(0==c?0:F(360/(c%14))))},"JU.V3,~N");d(b,"getInfo",function(a,c,f,e,b,g){var h=null!=c;this.info=f?new java.util.Hashtable:null;var d=new JU.V3,l;0==g&&(g=1);this.scale=g;for(var j=O(4,2,0),q=1;q<JS.PointGroup.maxAxis;q++)for(var n=this.nAxes[q];0<=--n;)j[this.axes[q][n].type][0]++;var p=(new JU.SB).append("# ").appendI(this.nAtoms).append(" atoms\n"),
m=this.getConventionalName(this.name);if(h){c="draw "+c;this.drawType=e=(f=null!=e&&0<e.length)?e:"";this.drawIndex=b;var s=e.equalsIgnoreCase(this.getConventionalName("Cn")),r=e.equalsIgnoreCase(this.getConventionalName("Sn"));p.append("set perspectivedepth off;\n");var t="_"+a+"_";f||p.append(c+"pg0").append(t).append("* delete;draw pgva").append(t).append("* delete;draw pgvp").append(t).append("* delete;");if(!f||e.equalsIgnoreCase("Ci"))p.append(c+"pg0").append(t).append(this.haveInversionCenter?
"inv ":" ").append(JU.Escape.eP(this.center)).append(this.haveInversionCenter?'"i";\n':";\n");for(var v=0.1,q=2;q<JS.PointGroup.maxAxis;q++)if(14==q&&(v=0.1),0!=this.nAxes[q]){a=!this.$isLinear?this.axes[q][0].getLabel(!1):"C_infinity";var h=!this.$isLinear?this.axes[q][0].getLabel(!0):"C_infinity",v=v+0.25,A=1.05*g*this.radius+80*v/this.sppa,n=14<=q;if(!f||e.equalsIgnoreCase(h)||s&&n||r&&!n)for(n=0;n<this.nAxes[q];n++)if(!(0<b&&n+1!=b)){l=this.axes[q][n];d.add2(l.normalOrAxis,this.center);p.append(c+
"pgva").append(t).append(a).append("_").appendI(n+1).append(" width 0.05 scale ").appendF(2==l.type?-A:A).append(" ").append(JU.Escape.eP(d));d.scaleAdd2(-2,l.normalOrAxis,d);var x=!this.$isLinear&&null!=this.principalAxis&&l.index==this.principalAxis.index;p.append(JU.Escape.eP(d)).append('"').append(h).append("").append('" color ').append(x?"red":2==l.type?"blue":"orange").append(";\n")}}if(!f||e.equalsIgnoreCase(this.getConventionalName("Cs")))for(n=0;n<this.nAxes[0];n++)0<b&&n+1!=b||(l=this.axes[0][n],
p.append(c+"pgvp").append(t).appendI(n+1).append("disk scale ").appendF(2*g*this.radius).append(" CIRCLE PLANE ").append(JU.Escape.eP(this.center)),d.add2(l.normalOrAxis,this.center),p.append(JU.Escape.eP(d)).append(" color translucent yellow;\n"),d.add2(l.normalOrAxis,this.center),p.append(c+"pgvp").append(t).appendI(n+1).append("ring width 0.05 scale ").appendF(2*g*this.radius).append(" arc ").append(JU.Escape.eP(d)),d.scaleAdd2(-2,l.normalOrAxis,d),p.append(JU.Escape.eP(d)),d.add3(0.011,0.012,
0.013),p.append(JU.Escape.eP(d)).append("{0 360 0.5} color ").append(null!=this.principalPlane&&l.index==this.principalPlane.index?"red":"blue").append(";\n"));p.append("# name=").append(m);p.append(", n"+this.getConventionalName("Ci")+"=").appendI(this.haveInversionCenter?1:0);p.append(", n"+this.getConventionalName("Cs")+"=").appendI(this.nAxes[0]);p.append(", n"+this.getConventionalName("Cn")+"=").appendI(j[1][0]);p.append(", n"+this.getConventionalName("Sn")+"=").appendI(j[2][0]);p.append(": ");
for(q=JS.PointGroup.maxAxis;2<=--q;)0<this.nAxes[q]&&(j=this.getConventionalName((14>q?"S":"C")+q%14),p.append(" n").append(j),p.append("=").appendI(this.nAxes[q]));p.append(";\n");p.append("print '"+m+"';\n");this.drawInfo=p.toString();JU.Logger.debugging&&JU.Logger.info(this.drawInfo);return this.drawInfo}n=0;c=1;e=0;q=this.haveInversionCenter?this.getConventionalName("Ci"):"center";this.haveInversionCenter&&(c++,e++);f?null!=this.center&&(this.info.put(q,this.center),this.haveInversionCenter&&
this.info.put("center",this.center),this.info.put(q,this.center)):p.append("\n\n").append(m).append("\t").append(q).append("\t").append(JU.Escape.eP(this.center));for(q=JS.PointGroup.maxAxis;0<=--q;)if(0<this.nAxes[q]){n=JS.PointGroup.nUnique[q];h=this.axes[q][0].getLabel(!0);a=this.axes[q][0].getLabel(!1);f?this.info.put("n"+a,Integer.$valueOf(this.nAxes[q])):p.append("\n\n").append(m).append("\tn").append(h).append("\t").appendI(this.nAxes[q]).append("\t").appendI(n);n*=this.nAxes[q];c+=n;e+=this.nAxes[q];
j[this.axes[q][0].type][1]+=n;h=f?new JU.Lst:null;b=f?new JU.Lst:null;for(n=0;n<this.nAxes[q];n++)g=this.axes[q][n],f?(h.addLast(g.normalOrAxis),b.addLast(g.getM3())):p.append("\n").append(m).append("\t").append(a).append("_").appendI(n+1).append("\t").appendO(g.normalOrAxis);f&&(this.info.put(a,h),this.info.put(a+"_m",b))}if(!f)return p.append("\n"),p.append("\n").append(m).append("\ttype\tnElements\tnUnique"),p.append("\n").append(m).append("\t"+this.getConventionalName("E")+"\t  1\t  1"),n=this.haveInversionCenter?
1:0,p.append("\n").append(m).append("\t"+this.getConventionalName("Ci")+"\t  ").appendI(n).append("\t  ").appendI(n),p.append("\n").append(m).append("\t"+this.getConventionalName("Cs")+"\t"),JU.PT.rightJustify(p,"    ",this.nAxes[0]+"\t"),JU.PT.rightJustify(p,"    ",this.nAxes[0]+"\n"),p.append(m).append("\t"+this.getConventionalName("Cn")+"\t"),JU.PT.rightJustify(p,"    ",j[1][0]+"\t"),JU.PT.rightJustify(p,"    ",j[1][1]+"\n"),p.append(m).append("\t"+this.getConventionalName("Sn")+"\t"),JU.PT.rightJustify(p,
"    ",j[2][0]+"\t"),JU.PT.rightJustify(p,"    ",j[2][1]+"\n"),p.append(m).append("\t\tTOTAL\t"),JU.PT.rightJustify(p,"    ",c+"\n"),this.textInfo=p.toString();this.info.put("name",this.name);this.info.put("hmName",this.getHermannMauguinName());this.info.put("nAtoms",Integer.$valueOf(this.nAtoms));this.info.put("nTotal",Integer.$valueOf(c));this.info.put("nElements",Integer.$valueOf(e));this.info.put("nCi",Integer.$valueOf(this.haveInversionCenter?1:0));this.haveInversionCenter&&this.info.put("Ci_m",
JU.M3.newM3(JS.PointGroup.mInv));this.info.put("nCs",Integer.$valueOf(this.nAxes[0]));this.info.put("nCn",Integer.$valueOf(j[1][0]));this.info.put("nSn",Integer.$valueOf(j[2][0]));this.info.put("distanceTolerance",Float.$valueOf(this.distanceTolerance));this.info.put("linearTolerance",Float.$valueOf(this.linearTolerance));this.info.put("points",this.points);this.info.put("detail",p.toString().$replace("\n",";"));null!=this.principalAxis&&0<this.principalAxis.index&&this.info.put("principalAxis",this.principalAxis.normalOrAxis);
null!=this.principalPlane&&0<this.principalPlane.index&&this.info.put("principalPlane",this.principalPlane.normalOrAxis);return this.info},"~N,~S,~B,~S,~N,~N");d(b,"isDrawType",function(a,c,f){return null!=this.drawInfo&&this.drawType.equals(null==a?"":a)&&this.drawIndex==c&&this.scale==f},"~S,~N,~N");b.getHMfromSFName=d(b,"getHMfromSFName",function(a){if(null==JS.PointGroup.htSFToHM){JS.PointGroup.htSFToHM=new java.util.Hashtable;var c=JS.PointGroup.SF2HM;JS.PointGroup.addNames("E","1");JS.PointGroup.addNames("Ci",
"-1");JS.PointGroup.addNames("Cn","n");JS.PointGroup.addNames("Sn","-n");for(var f=0;f<c.length;f++){var e=c[f].$plit(","),b=e[0];if(2==e.length)JS.PointGroup.addNames(b,e[1]);else{for(var g=b.substring(0,1),b=b.substring(2,b.length),d=1;13>d;d++){var k=e[d];0<k.length&&(JS.PointGroup.addNames(g+d+b,k),System.out.println(g+d+b+"\t"+k))}14==e.length&&JS.PointGroup.addNames(g+"\u221e"+b,e[13])}}}c=JS.PointGroup.htSFToHM.get(a);return null==c?a:c},"~S");b.addNames=d(b,"addNames",function(a,c){JS.PointGroup.htSFToHM.put(a,
c);JS.PointGroup.htSFToHM.put(c,a)},"~S,~S");b.$PointGroup$Operation$=function(){var a=L(function(){Ka(this,arguments);this.index=this.order=this.type=0;this.normalOrAxis=null;this.typeOrder=0;this.mat=null;Q(this,arguments)},JS.PointGroup,"Operation",null);Z(a,function(){this.index=++this.b$["JS.PointGroup"].nOps;this.type=3;this.typeOrder=this.order=1;JU.Logger.debugging&&JU.Logger.debug("new operation -- "+JS.PointGroup.typeNames[this.type])});Z(a,function(c,a){this.index=++this.b$["JS.PointGroup"].nOps;
this.type=14>a?2:1;this.typeOrder=a;this.order=a%14;this.normalOrAxis=JU.Quat.newVA(c,180).getNormal();JU.Logger.debugging&&JU.Logger.debug("new operation -- "+(this.order==a?"S":"C")+this.order+" "+this.normalOrAxis)},"JU.V3,~N");Z(a,function(c){null!=c&&(this.index=++this.b$["JS.PointGroup"].nOps,this.type=0,this.normalOrAxis=JU.Quat.newVA(c,180).getNormal(),JU.Logger.debugging&&JU.Logger.debug("new operation -- plane "+this.normalOrAxis))},"JU.V3");d(a,"getLabel",function(c){var a;switch(this.type){case 0:a=
"Cs";break;case 2:a="S"+this.order;break;default:a="C"+this.order}return c?this.b$["JS.PointGroup"].getConventionalName(a):a},"~B");d(a,"getM3",function(){if(null!=this.mat)return this.mat;var c=JU.M3.newM3(JS.PointGroup.getQuaternion(this.normalOrAxis,this.typeOrder).getMatrix());(0==this.type||2==this.type)&&c.mul(JS.PointGroup.mInv);this.cleanMatrix(c);return this.mat=c});d(a,"cleanMatrix",function(c){for(var a=0;3>a;a++)for(var e=0;3>e;e++)c.setElement(a,e,this.approx0(c.getElement(a,e)))},"JU.M3");
d(a,"approx0",function(c){return 1E-15<c||-1E-15>c?c:0},"~N");m(a,"toString",function(){return this.getLabel(!1)+" "+this.normalOrAxis})};b.axesMaxN=O(-1,[15,0,0,1,3,1,10,0,1,0,6,0,1,0,0,0,15,10,6,6,10,0,1]);b.nUnique=O(-1,[1,0,0,2,2,4,2,0,4,0,4,0,4,0,0,0,1,2,2,4,2,0,4]);b.maxAxis=JS.PointGroup.axesMaxN.length;b.typeNames=X(-1,["plane","proper axis","improper axis","center of inversion"]);b.mInv=JU.M3.newA9(C(-1,[-1,0,0,0,-1,0,0,0,-1]));b.SF2HM="Cn,1,2,3,4,5,6,7,8,9,10,11,12|Cnv,m,2m,3m,4mm,5m,6mm,7m,8mm,9m,10mm,11m,12mm,\u221em|Sn,,-1,-6,-4,(-10),-3,(-14),-8,(-18),-5,(-22),(-12)|Cnh,m,2/m,-6,4/m,-10,6/m,-14,8/m,-18,10/m,-22,12/m|Dn,,222,32,422,52,622,72,822,92,(10)22,(11)2,(12)22|Dnd,,-42m,-3m,-82m,-5m,(-12)2m,-7m,(-16)2m,-9m,(-20)2m,(-11)m,(-24)2m|Dnh,,mmm,-6m2,4/mmm,(-10)m2,6/mmm,(-14)m2,8/mmm,(-18)m2,10/mmm,(-22)m2,12/mmm,\u221e/mm|Ci,-1|Cs,m|T,23|Th,m-3|Td,-43m|O,432|Oh,m-3m".$plit("\\|");
b.htSFToHM=null});V("JS");da(["JS.HallInfo","java.util.Hashtable"],"JS.SpaceGroup","java.util.Arrays JU.AU $.Lst $.M4 $.P3 $.PT $.SB JS.Symmetry $.SymmetryOperation $.UnitCell JU.Logger $.SimpleUnitCell".split(" "),function(){var b=L(function(){this.specialPrefix="";this.groupType=0;this.xyzList=this.allOperations=this.finalOperations=this.symmetryOperations=null;this.axisChoice=this.uniqueAxis="\x00";this.jmolId=this.itaNumber=null;this.operationCount=0;this.latticeOp=-1;this.isBio=!1;this.latticeType=
"P";this.itaTransform=null;this.setNo=this.itaNo=0;this.sfIndex=-1;this.itaIndex=null;this.nDim=3;this.periodicity=7;this.canonicalCLEG=this.clegId=null;this.index=0;this.referenceIndex=-1;this.isSSG=!1;this.name="unknown!";this.hallInfo=this.jmolIdExt=this.hmSymbol=this.crystalClass=this.hallSymbolAlt=this.hallSymbol=null;this.modDim=this.latticeParameter=0;this.doNormalize=!0;this.hmSymbolAbbrShort=this.hmSymbolAlternative=this.hmSymbolAbbr=this.hmSymbolExt=this.hmSymbolFull=this.nHallOperators=
this.info=null;this.ambiguityType="\x00";this.spinConfiguration=this.spinList=this.displayName=this.strName=null;Q(this,arguments)},JS,"SpaceGroup",null,[Cloneable,JS.HallInfo.HallReceiver]);Z(b,function(c,a,e){++JS.SpaceGroup.sgIndex;0>c&&(c=JS.SpaceGroup.sgIndex);this.index=c;this.init(e&&null==a);e&&null!=a&&this.buildSelf(a)},"~N,~S,~B");d(b,"getSpecialPrefix",function(){return this.specialPrefix});d(b,"setFrom",function(c,a){a?(this.setName(c.itaNumber.equals("0")?this.clegId:"HM:"+c.hmSymbolFull+
" #"+c.clegId),this.referenceIndex=-2):(this.setName(c.getName()),this.referenceIndex=c.index);this.latticeType=c.latticeType;this.specialPrefix=c.specialPrefix;this.periodicity=c.periodicity;this.groupType=c.groupType;this.setClegId(c.getClegId());this.itaIndex=c.itaIndex;this.crystalClass=c.crystalClass;this.hallSymbol=c.hallSymbol;this.hmSymbol=c.hmSymbol;this.hmSymbolAbbr=c.hmSymbolAbbr;this.hmSymbolAbbrShort=c.hmSymbolAbbrShort;this.hmSymbolAlternative=c.hmSymbolAlternative;this.hmSymbolExt=
c.hmSymbolExt;this.hmSymbolFull=c.hmSymbolFull;this.itaNumber=c.itaNumber;this.itaTransform=c.itaTransform;this.strName=this.displayName=this.jmolIdExt=this.jmolId=null;return this},"JS.SpaceGroup,~B");b.getNull=d(b,"getNull",function(c,a,e){c=new JS.SpaceGroup(-1,null,c);c.doNormalize=a;e&&c.setFinalOperations();return c},"~B,~B,~B");d(b,"init",function(c){this.xyzList=new java.util.Hashtable;this.operationCount=0;c&&this.addSymmetry("x,y,z",0,!1)},"~B");b.createSpaceGroup=d(b,"createSpaceGroup",
function(c,a,e,b){var g=null;0<=c?g=JS.SpaceGroup.SG[c]:(g=I(e,"JU.Lst")?JS.SpaceGroup.createSGFromList(a,e):JS.SpaceGroup.determineSpaceGroupNA(a,e),null==g&&(g=JS.SpaceGroup.createSpaceGroupN(0>=b?a:"x1,x2,x3,x4,x5,x6,x7,x8,x9".substring(0,3*b+8),!0)));null!=g&&g.generateMatrixOperators(null);return g},"~N,~S,~O,~N");d(b,"getItaIndex",function(){return null!=this.itaIndex&&!"--".equals(this.itaIndex)?this.itaIndex:!"0".equals(this.itaNumber)?this.itaNumber:!"--".equals(this.hallSymbol)?"["+this.hallSymbol+
"]":"?"});d(b,"getIndex",function(){return 0<=this.referenceIndex?this.referenceIndex:this.index});d(b,"setClegId",function(c){this.clegId=c;this.canonicalCLEG=JS.SpaceGroup.canonicalizeCleg(c)},"~S");d(b,"getClegId",function(){return this.clegId});b.createSGFromList=d(b,"createSGFromList",function(c,a){var e=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);e.doNormalize=!1;e.setName(c);var b=a.size();if(0==b)return e;for(var g=0;g<b;g++){var d=a.get(g);if(I(d,"JS.SymmetryOperation")){var k=e.addOp(d,
d.xyz,!1);e.symmetryOperations[k].setTimeReversal(d.timeReversal)}else e.addSymmetrySM("xyz matrix:"+d,d)}e.setFinalOperationsSafely();b=e.getReferenceSpaceGroup();null!=b&&(e=b);return e},"~S,JU.Lst");d(b,"addSymmetry",function(c,a,e){c=c.toLowerCase();return 0>c.indexOf("[[")&&0>c.indexOf("x4")&&0>c.indexOf(";")&&(0>c.indexOf("x")||0>c.indexOf("y")||0>c.indexOf("z"))?-1:this.addOperation(c,a,e)},"~S,~N,~B");d(b,"setFinalOperationsSafely",function(){null==this.finalOperations&&this.setFinalOperations()});
d(b,"setFinalOperations",function(){this.setFinalOperationsForAtoms(0==this.nDim?3:this.nDim,null,0,0,!1)});d(b,"setFinalOperationsForAtoms",function(c,a,e,b,g){if(null==this.hallInfo&&0!=this.latticeParameter){var d=new JS.HallInfo(JS.HallInfo.getHallLatticeEquivalent(this.latticeParameter));this.generateMatrixOperators(d)}else this.checkCreateFromHall();this.finalOperations=null;this.isBio=0<=this.name.indexOf("bio");!this.isBio&&(this.index>=JS.SpaceGroup.SG.length&&this.allowCheckForReference())&&
(d=this.getReferenceSpaceGroup(),null!=d&&d!==this&&this.setFrom(d,!1));0==this.operationCount&&this.addOperation("x,y,z",1,!1);this.finalOperations=Array(this.operationCount);var d=g&&0<b&&null!=a,k=null;if(d){k=this.finalOperations[0]=new JS.SymmetryOperation(this.symmetryOperations[0],0,!0);null==k.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(c,k,a,e,b);var l=a[e],j=JU.P3.newP(l);k.rotTrans(j);if(1E-4<j.distance(l))for(var q=0;q<b;q++)l=a[e+q],j.setT(l),k.rotTrans(j),l.setT(j);g||(k=
null)}for(q=0;q<this.operationCount;q++){if(0<q||null==k)k=this.finalOperations[q]=new JS.SymmetryOperation(this.symmetryOperations[q],0,g);d&&null==k.sigma&&JS.SymmetryOperation.normalizeOperationToCentroid(c,k,a,e,b);k.getCentering()}},"~N,~A,~N,~N,~B");d(b,"allowCheckForReference",function(){return 0==this.modDim&&0==this.groupType&&null!=this.symmetryOperations&&0<this.symmetryOperations.length&&0==this.symmetryOperations[0].timeReversal&&0>this.name.indexOf("[subsystem")});b.newHallInfo=d(b,
"newHallInfo",function(c){c.startsWith("Hall:")&&(c=c.substring(5).trim());return new JS.HallInfo(c)},"~S");d(b,"getOperationCount",function(){this.setFinalOperationsSafely();return this.finalOperations.length});d(b,"getOperation",function(c){return this.finalOperations[c]},"~N");d(b,"getAdditionalOperationsCount",function(){this.setFinalOperationsSafely();null==this.allOperations&&(this.allOperations=JS.SymmetryOperation.getAdditionalOperations(this.finalOperations,this.periodicity<<4|this.nDim));
return this.allOperations.length-this.getOperationCount()});d(b,"getAdditionalOperations",function(){this.getAdditionalOperationsCount();return this.allOperations});d(b,"getAllOperation",function(c){return this.allOperations[c]},"~N");d(b,"getXyz",function(c,a){return null==this.finalOperations?this.symmetryOperations[c].getXyz(a):this.finalOperations[c].getXyz(a)},"~N,~B");b.findSpaceGroupFromXYZ=d(b,"findSpaceGroupFromXYZ",function(c){var a=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0);a.doNormalize=
!1;c=c.$plit(";");for(var e=0,b=c.length;e<b;e++){var g=new JS.SymmetryOperation(null,e,!1);g.setMatrixFromXYZ(c[e],0,!1);a.addOp(g,c[e],!1)}return JS.SpaceGroup.findReferenceSpaceGroup(a.operationCount,a.getCanonicalSeitzList(),null)},"~S");b.getInfo=d(b,"getInfo",function(c,a,e,b,g){try{if(null!=c&&c.index>=JS.SpaceGroup.SG.length&&c.allowCheckForReference()){var d=JS.SpaceGroup.findReferenceSpaceGroup(c.operationCount,c.getCanonicalSeitzList(),c.clegId);null!=d&&(c=d)}if(null!=e){if(null==c){0<=
a.indexOf("[")&&(a=a.substring(0,a.indexOf("[")).trim());if(a.equals("unspecified!"))return"no space group identified in file";c=JS.SpaceGroup.determineSpaceGroupNA(a,e)}}else{if(a.equalsIgnoreCase("ALL"))return JS.SpaceGroup.dumpAll(b);if(a.equalsIgnoreCase("MAP"))return JS.SpaceGroup.dumpAll(!0);if(a.equalsIgnoreCase("ALLSEITZ"))return JS.SpaceGroup.dumpAllSeitz();c=JS.SpaceGroup.determineSpaceGroupN(a)}if(null==c){var k=JS.SpaceGroup.createSpaceGroupN(a,!0);null!=k&&(k=JS.SpaceGroup.findReferenceSpaceGroup(k.operationCount,
k.getCanonicalSeitzList(),k.clegId));null!=k&&(c=k)}if(null!=c){if(b)return c.dumpInfoObj();for(var l=new JU.SB;null!=c&&0==c.groupType&&!(c.index<JS.SpaceGroup.SG.length||g);)c=JS.SpaceGroup.SG[c.index];c.getOperationCount();l.append(c.dumpInfo());return l.toString()}return b?null:"?"}catch(j){if(ha(j,Exception))return"?";throw j;}},"JS.SpaceGroup,~S,~A,~B,~B");d(b,"dumpInfo",function(){var c=new JU.SB;0!=this.groupType&&c.append("\ngroupType: ").append(JS.SpaceGroup.getSpecialGroupName(this.groupType));
c.append("\nHermann-Mauguin symbol: ");null==this.hmSymbol||null==this.hmSymbolExt?c.append("?"):c.append(this.hmSymbol).append(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");null!=this.itaNumber&&c.append("\ninternational table number: ").append(this.itaNumber);null!=this.crystalClass&&c.append("\ncrystal class: "+this.crystalClass);null!=this.jmolId&&c.append("\nJmol_ID: ").append(this.jmolId).append(" ("+this.itaIndex+")");null!=this.clegId&&c.append("\nCLEG: "+this.clegId);if(0==this.groupType){c.append("\n\n").append(null==
this.hallInfo?"Hall symbol unknown":JU.Logger.debugging?this.hallInfo.dumpInfo():"");c.append("\n\n").appendI(this.operationCount).append(" operators").append(null!=this.hallInfo&&!this.hallInfo.getHallSymbol().equals("--")?" from Hall symbol "+this.hallInfo.getHallSymbol():"").append(": ");for(var a=0;a<this.operationCount;a++)c.append("\n").append(this.symmetryOperations[a].xyz)}return c.toString()});d(b,"dumpInfoObj",function(){var c=this.dumpCanonicalSeitzList();if(I(c,"JS.SpaceGroup"))return c.dumpInfoObj();
c=new java.util.Hashtable;if(null!=this.itaNumber&&!this.itaNumber.equals("0")){var a=null==this.hmSymbol||null==this.hmSymbolExt?"?":this.hmSymbol+(0<this.hmSymbolExt.length?":"+this.hmSymbolExt:"");c.put("index",Integer.$valueOf(this.index));c.put("hm",a);c.put("HermannMauguinSymbol",a);c.put("ita",Integer.$valueOf(JU.PT.parseInt(this.itaNumber)));null!=this.hallInfo&&null!=this.hallInfo.getHallSymbol()&&c.put("HallSymbol",this.hallInfo.getHallSymbol());null!=this.hallSymbolAlt&&c.put("HallSymbolAlt",
this.hallSymbolAlt);c.put("itaIndex",null==this.itaIndex?"n/a":this.itaIndex);c.put("clegId",null==this.itaIndex?"n/a":this.clegId);null!=this.jmolId&&c.put("jmolId",this.jmolId);null!=this.crystalClass&&c.put("crystalClass",this.crystalClass);c.put("operationCount",Integer.$valueOf(this.operationCount))}else null!=this.hallInfo&&(null!=this.hallInfo.getHallSymbol()&&c.put("HallSymbol",this.hallInfo.getHallSymbol()),null!=this.hallSymbolAlt&&c.put("HallSymbolAlt",this.hallSymbolAlt),c.put("operationCount",
Integer.$valueOf(this.operationCount)));for(var a=new JU.Lst,e=0;e<this.operationCount;e++)a.addLast(this.symmetryOperations[e].xyz);c.put("operationsXYZ",a);return c});d(b,"getCIFWriterValue",function(c,a){var e=null;switch(c){case "HermannMauguinSymbol":e=this.hmSymbol;break;case "ita":e=this.itaNumber;break;case "HallSymbol":e=this.hallSymbol}if(null!=e)return e;null==this.info&&(this.info=JS.SpaceGroup.getInfo(this,this.hmSymbol,a.getUnitCellParams(),!0,!1));if("string"==typeof this.info)return null;
e=this.info.get(c);return null==e?null:e.toString()},"~S,J.api.SymmetryInterface");d(b,"getName",function(){return this.name});d(b,"getShelxLATTDesignation",function(){return JS.HallInfo.getLatticeDesignation(this.latticeParameter)});d(b,"setLatticeParam",function(c){this.latticeParameter=c;10<c&&(this.latticeParameter=-JS.HallInfo.getLatticeIndexFromCode(c))},"~N");d(b,"dumpCanonicalSeitzList",function(){this.checkCreateFromHall();var c=this.getCanonicalSeitzList();if(this.index>=JS.SpaceGroup.SG.length){var a=
JS.SpaceGroup.findReferenceSpaceGroup(this.operationCount,c,this.clegId);if(null!=a)return a.getCanonicalSeitzList()}return(0<=this.index&&this.index<JS.SpaceGroup.SG.length?this.hallSymbol+" = ":"")+c});d(b,"checkCreateFromHall",function(){null!=this.nHallOperators&&null!=this.hallSymbol&&(this.hallInfo=JS.SpaceGroup.newHallInfo(this.hallSymbol),this.generateMatrixOperators(null))});d(b,"getReferenceSpaceGroup",function(){if(-2==this.referenceIndex||0<=this.index&&this.index<JS.SpaceGroup.SG.length||
!this.allowCheckForReference())return this;var c=this.getCanonicalSeitzList();return null==c?null:JS.SpaceGroup.findReferenceSpaceGroup(this.operationCount,c,this.clegId)});d(b,"getCanonicalSeitzList",function(){return JS.SpaceGroup.getCanonicalSeitzForOperations(this.symmetryOperations,this.operationCount)});b.getCanonicalSeitzForOperations=d(b,"getCanonicalSeitzForOperations",function(c,a){for(var e=Array(a),b=0;b<a;b++)e[b]=JS.SymmetryOperation.dumpSeitz(c[b],!0);java.util.Arrays.sort(e,0,a);for(var g=
(new JU.SB).append("\n["),b=0;b<a;b++)g.append(e[b].$replace("\t"," ").$replace("\n"," ")).append("; ");g.append("]");return g.toString()},"~A,~N");b.findReferenceSpaceGroup=d(b,"findReferenceSpaceGroup",function(c,a,e){c=JS.SpaceGroup.htByOpCount.get(Integer.$valueOf(c));if(null!=c)for(var b=0,g=c.size();b<g;b++){var d=c.get(b);if(null!=e&&e.equals(d.clegId)||(null==d.clegId||null==e||e.equals("0:a,b,c"))&&0<=JS.SpaceGroup.getCanonicalSeitz(d.index).indexOf(a))return JS.SpaceGroup.SG[d.index]}return null},
"~N,~S,~S");b.dumpAll=d(b,"dumpAll",function(c){if(c){var a=new JU.Lst;for(c=0;c<JS.SpaceGroup.SG.length;c++)a.addLast(JS.SpaceGroup.SG[c].dumpInfoObj());return a}a=new JU.SB;for(c=0;c<JS.SpaceGroup.SG.length;c++)a.append("\n----------------------\n"+JS.SpaceGroup.SG[c].dumpInfo());return a.toString()},"~B");b.dumpAllSeitz=d(b,"dumpAllSeitz",function(){for(var c=new JU.SB,a=0;a<JS.SpaceGroup.SG.length;a++)c.append("\n").appendO(JS.SpaceGroup.getCanonicalSeitz(a));return c.toString()});b.getCanonicalSeitz=
d(b,"getCanonicalSeitz",function(c){null==JS.SpaceGroup.canonicalSeitzList&&(JS.SpaceGroup.canonicalSeitzList=Array(JS.SpaceGroup.SG.length));var a=JS.SpaceGroup.canonicalSeitzList[c];return null==a?JS.SpaceGroup.canonicalSeitzList[c]=JS.SpaceGroup.SG[c].dumpCanonicalSeitzList().toString():a},"~N");d(b,"setLattice",function(c,a){this.latticeParameter=JS.HallInfo.getLatticeIndex(c);a||(this.latticeParameter=-this.latticeParameter)},"~S,~B");b.createSpaceGroupN=d(b,"createSpaceGroupN",function(c,a){c=
c.trim();var e=JS.SpaceGroup.determineSpaceGroupN(c);if(null==e&&a){var b=JS.SpaceGroup.newHallInfo(c);b.isGenerated()?(e=new JS.SpaceGroup(-1,"0;--;--;0;--;--;"+c,!0),e.hallInfo=b,e.hallSymbol=b.getHallSymbol(),e.setName("["+e.hallSymbol+"]"),e.jmolId=null):0<=c.indexOf(",")&&(e=new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0),e.doNormalize=!1,e.generateOperatorsFromXyzInfo(c))}if(null!=e)try{return e.generateMatrixOperators(null),e}catch(g){if(!ha(g,Exception))throw g;}return null},"~S,~B");d(b,"addOperation",
function(c,a,e){if(null==c||3>c.length)return this.init(!1),-1;c=JU.PT.rep(c," ","");var b="="==c.charAt(0);b&&(c=c.substring(1));var g=this.checkXYZlist(c);if(0<=g)return g;if(c.startsWith("x1,x2,x3,x4")&&0==this.modDim)this.xyzList.clear(),this.operationCount=0,this.modDim=JU.PT.parseInt(c.substring(c.lastIndexOf("x")+1))-3;else if(0<=c.indexOf("m")||0<=c.indexOf("u"))if(c=JU.PT.rep(c,"+m","m"),c.equals("x,y,z,m")||c.equals("x,y,z(mx,my,mz)")||c.startsWith("x,y,z(")&&1==this.operationCount&&null==
this.symmetryOperations[0].suvw)this.xyzList.clear(),this.operationCount=0;a=new JS.SymmetryOperation(null,a,this.doNormalize);if(!a.setMatrixFromXYZ(c,this.modDim,e))return-1;"!"==c.charAt(0)&&(c=c.substring(c.lastIndexOf("!")+1));return this.addOp(a,c,b)},"~S,~N,~B");d(b,"checkXYZlist",function(c){return this.xyzList.containsKey(c)?this.xyzList.get(c).intValue():-1},"~S");d(b,"addOp",function(c,a,e){var b=c.xyz;if(!e){e=this.checkXYZlist(b);if(0<=e)return e;0>this.latticeOp&&(e=JU.PT.replaceAllCharacters(0<
this.modDim?JS.SymmetryOperation.replaceXn(b,this.modDim+3):b,"+123/",""),this.xyzList.containsKey(e+"!")?this.latticeOp=this.operationCount:this.xyzList.put(e+"!",Integer.$valueOf(this.operationCount)));this.xyzList.put(b,Integer.$valueOf(this.operationCount))}b.equals(a)||this.xyzList.put(a,Integer.$valueOf(this.operationCount));null==this.symmetryOperations&&(this.symmetryOperations=Array(4));this.operationCount==this.symmetryOperations.length&&(this.symmetryOperations=JU.AU.arrayCopyObject(this.symmetryOperations,
2*this.operationCount));this.symmetryOperations[this.operationCount++]=c;c.number=this.operationCount;0!=c.timeReversal&&(this.symmetryOperations[0].timeReversal=1);JU.Logger.debugging&&JU.Logger.debug("\naddOperation "+this.operationCount+c.dumpInfo());return this.operationCount-1},"JS.SymmetryOperation,~S,~B");d(b,"generateOperatorsFromXyzInfo",function(c){this.init(!0);c=JU.PT.split(c.toLowerCase(),";");for(var a=0;a<c.length;a++)this.addSymmetry(c[a],0,!1)},"~S");d(b,"generateMatrixOperators",
function(c){if(null==c){if(0<this.operationCount)return;if(null==this.hallSymbol||this.hallSymbol.endsWith("?")){this.checkHallOperators();return}this.symmetryOperations=Array(4);if(null==this.hallInfo||!this.hallInfo.isGenerated())this.hallInfo=JS.SpaceGroup.newHallInfo(this.hallSymbol);this.setLattice(this.hallInfo.getLatticeCode(),this.hallInfo.isCentrosymmetric());this.init(!0);c=this.hallInfo}c.generateAllOperators(this);null==this.hmSymbol&&(this.hmSymbol="--");this.hmSymbol.equals("--")&&(this.hallSymbol=
c.getHallSymbol(),this.nHallOperators=Integer.$valueOf(this.operationCount));null!=this.nHallOperators&&this.operationCount!=this.nHallOperators.intValue()&&JU.Logger.error("Operator mismatch "+this.operationCount+" for "+this);c=c.getLatticeCode();switch(c.charCodeAt(0)){case 0:case 83:case 84:case 80:this.latticeType="P";break;default:this.latticeType=c}},"JS.HallInfo");d(b,"addSymmetrySM",function(c,a){var e=this.addOperation(c,0,!1);0<=e&&this.symmetryOperations[e].setM4(a);return e},"~S,JU.M4");
b.determineSpaceGroupN=d(b,"determineSpaceGroupN",function(c){return JS.SpaceGroup.determineSpaceGroup(c,0,0,0,0,0,0,-1)},"~S");b.determineSpaceGroupNS=d(b,"determineSpaceGroupNS",function(c,a){return JS.SpaceGroup.determineSpaceGroup(c,0,0,0,0,0,0,a.index)},"~S,JS.SpaceGroup");b.determineSpaceGroupNA=d(b,"determineSpaceGroupNA",function(c,a){return null==a?JS.SpaceGroup.determineSpaceGroup(c,0,0,0,0,0,0,-1):JS.SpaceGroup.determineSpaceGroup(c,a[0],a[1],a[2],a[3],a[4],a[5],-1)},"~S,~A");b.determineSpaceGroup=
d(b,"determineSpaceGroup",function(c,a,e,b,g,d,k,l){c=JS.SpaceGroup.determineSpaceGroupIndex(c,a,e,b,g,d,k,l);return 0<=c?JS.SpaceGroup.SG[c]:null},"~S,~N,~N,~N,~N,~N,~N,~N");b.isXYZList=d(b,"isXYZList",function(c){return null!=c&&0<=c.indexOf(",")&&0>c.indexOf("(")&&0>c.indexOf(":")},"~S");b.determineSpaceGroupIndex=d(b,"determineSpaceGroupIndex",function(c,a,e,b,g,d,k,l){if(JS.SpaceGroup.isXYZList(c))return-1;0>l&&(l=JS.SpaceGroup.SG.length);if(0<JS.SpaceGroup.getExplicitSpecialGroupType(c))return-1;
c=c.trim().toLowerCase();c.startsWith("bilbao:")&&(c=c.substring(7));var j;j=c.indexOf("hall:");0<j&&(c=c.substring(j));var q=0<=c.indexOf(",")?6:c.startsWith("ita/")?4:c.startsWith("hall:")?5:c.startsWith("hm:")?3:0;switch(q){case 6:c=JS.SpaceGroup.canonicalizeCleg(c);break;case 3:case 5:case 4:c=c.substring(q);break;case 0:c.contains("[")?(q=5,c=c.substring(0,c.indexOf("[")).trim()):0<c.indexOf(".")&&(q=4)}switch(q){case 6:for(j=0;j<l;j++)if(c.equals(JS.SpaceGroup.SG[j].canonicalCLEG))return j;
return-1;case 5:for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].hallSymbol.equalsIgnoreCase(c))return j;return-1}var n=c,p=!1;4!=q&&(c=c.$replace("_"," "),2<=c.length&&(j=0==c.indexOf("-")?2:1,j<c.length&&" "!=c.charAt(j)&&(c=c.substring(0,j)+" "+c.substring(j)),c=JS.SpaceGroup.toCap(c,2)));var m="";if(0<(j=c.indexOf(":")))m=c.substring(j+1),c=c.substring(0,j).trim(),p=0<m.length;4!=q&&(5!=q&&!p&&JU.PT.isOneOf(c,JS.SpaceGroup.ambiguousHMNames))&&(m="?",p=!0);var s=JU.PT.replaceAllCharacters(c," ()",""),r;
switch(q){case 4:if(p)for(j=0;j<l;j++){if(n.equalsIgnoreCase(JS.SpaceGroup.SG[j].itaIndex))return j}else for(j=0;j<l;j++)if(c.equalsIgnoreCase(JS.SpaceGroup.SG[j].itaIndex))return j;break;case 6:case 5:break;default:case 3:if(3!=q)for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].jmolId.equalsIgnoreCase(n))return j;for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].hmSymbolFull.equalsIgnoreCase(n))return j;for(j=0;j<l;j++)if(null!=(r=JS.SpaceGroup.SG[j]).hmSymbolAlternative&&r.hmSymbolAlternative.equalsIgnoreCase(n))return j;
if(p){for(j=0;j<l;j++)if((r=JS.SpaceGroup.SG[j]).hmSymbolAbbr.equalsIgnoreCase(s)&&(r.hmSymbolExt.equalsIgnoreCase(m)||r.jmolIdExt.equalsIgnoreCase(m)))return j;for(j=0;j<l;j++)if((r=JS.SpaceGroup.SG[j]).hmSymbolAbbrShort.equalsIgnoreCase(s)&&(r.hmSymbolExt.equalsIgnoreCase(m)||r.jmolIdExt.equalsIgnoreCase(m)))return j}c=JS.SpaceGroup.determineUniqueAxis(a,e,b,g,d,k);if(!p||"?"==m.charAt(0))for(j=0;j<l;j++)if((r=JS.SpaceGroup.SG[j]).hmSymbolAbbr.equalsIgnoreCase(s)||r.hmSymbolAbbrShort.equalsIgnoreCase(s)||
r.itaNumber.equals(s))switch(r.ambiguityType.charCodeAt(0)){case 0:case 45:return j;case 97:if(r.uniqueAxis==c||"\x00"==c)return j;break;case 111:if(0==m.length){if(r.hmSymbolExt.equals("2"))return j}else if(r.hmSymbolExt.equalsIgnoreCase(m))return j;break;case 116:if(0==m.length){if("h"==r.axisChoice)return j}else if((r.axisChoice+"").equalsIgnoreCase(m))return j}}if(0==m.length)for(j=0;j<l;j++)if(JS.SpaceGroup.SG[j].itaNumber.equals(n))return j;return-1},"~S,~N,~N,~N,~N,~N,~N,~N");d(b,"setJmolCode",
function(c){this.jmolId=c;c=JU.PT.split(c,":");this.itaNumber=c[0];this.jmolIdExt=1==c.length?"":c[1];this.ambiguityType="\x00";0<this.jmolIdExt.length&&(c=this.jmolIdExt.charAt(0),this.jmolIdExt.equals("h")||this.jmolIdExt.equals("r")?(this.ambiguityType="t",this.axisChoice=this.jmolIdExt.charAt(0)):"1"==c||"2"==c?this.ambiguityType="o":2>=this.jmolIdExt.length||3==this.jmolIdExt.length&&"-"==c?(this.ambiguityType="a",this.uniqueAxis=this.jmolIdExt.charAt("-"==c?1:0)):this.jmolIdExt.contains("-")&&
(this.ambiguityType="-"))},"~S");b.determineUniqueAxis=d(b,"determineUniqueAxis",function(c,a,e,b,g,d){return c==a?a==e?"\x00":"c":a==e?"a":e==c?"b":b==g?g==d?"\x00":"c":g==d?"a":d==b?"b":"\x00"},"~N,~N,~N,~N,~N,~N");d(b,"buildSelf",function(c){c=JU.PT.split(c.toLowerCase(),";");this.jmolId=c[0].trim();this.setJmolCode(this.jmolId);var a=this.jmolId.endsWith("*");a&&(this.jmolId=this.jmolId.substring(0,this.jmolId.length-1));this.itaIndex=c[1].$replace("|",";");var e=this.itaIndex.indexOf(".");0>
e?(this.setNo=2147483647,e=this.itaIndex.indexOf(":")):this.setNo=Integer.parseInt(this.itaIndex.substring(e+1));this.itaNo=0>e?0:Integer.parseInt(this.itaIndex.substring(0,e));e=c[2];this.itaTransform=0==e.length||e.equals("--")?"a,b,c":e.equals("r")?"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":JU.PT.rep(e,"ab","a-b,a+b,c").$replace("|",";");this.setClegId(this.itaNumber+":"+this.itaTransform);0<c[3].length&&(this.nHallOperators=Integer.$valueOf(c[3]),e=JS.SpaceGroup.htByOpCount.get(this.nHallOperators),
null==e&&JS.SpaceGroup.htByOpCount.put(this.nHallOperators,e=new JU.Lst),e.addLast(this));this.crystalClass=JS.SpaceGroup.toCap(JU.PT.split(c[4],"^")[0],1);e=c[5];e.endsWith("*")&&(e=e.substring(0,e.length-1));this.setHMSymbol(e);"xyz".equals(c[6])?(c=this.hmSymbol,this.hallSymbol=""+this.latticeType+"?"):(this.hallSymbol=c[6],1<this.hallSymbol.length&&(this.hallSymbol=JS.SpaceGroup.toCap(this.hallSymbol,2)),a&&(this.hallSymbolAlt=this.hallSymbol,this.hallSymbol=JS.SpaceGroup.lastHallSymbol),c=this.itaNumber+
this.hallSymbol,"0"!=this.itaNumber.charAt(0)&&c.equals(JS.SpaceGroup.lastInfo)&&(JS.SpaceGroup.ambiguousHMNames+=this.hmSymbol+";"));JS.SpaceGroup.lastHallSymbol=this.hallSymbol;JS.SpaceGroup.lastInfo=c;this.name="HM:"+this.hmSymbolFull+" "+(null==this.hallSymbol||"?"===this.hallSymbol?"["+this.hallSymbol+"]":"")+" #"+this.itaIndex},"~S");d(b,"setHMSymbol",function(c){var a=c.indexOf("#");0<=a&&(c=c.substring(0,a).trim());this.hmSymbolFull=0==this.groupType?JS.SpaceGroup.toCap(c,1):c.toLowerCase();
this.latticeType=Character.toUpperCase(this.hmSymbolFull.charAt(0));c=JU.PT.split(this.hmSymbolFull,":");this.hmSymbol=c[0];this.hmSymbolExt=1==c.length?"":c[1];a=this.hmSymbol.indexOf(" -3");1<=a&&0<="admn".indexOf(this.hmSymbol.charAt(a-1))&&(this.hmSymbolAlternative=(this.hmSymbol.substring(0,a)+" 3"+this.hmSymbol.substring(a+3)).toLowerCase());this.hmSymbolAbbr=JU.PT.rep(this.hmSymbol," ","");this.hmSymbolAbbrShort=3<this.hmSymbol.length&&"3"!=this.hmSymbol.charAt(2)&&"3"!=this.hmSymbol.charAt(3)?
JU.PT.rep(this.hmSymbol," 1",""):this.hmSymbolAbbr;this.hmSymbolAbbrShort=JU.PT.rep(this.hmSymbolAbbrShort," ","");this.strName=null},"~S");b.toCap=d(b,"toCap",function(c,a){return c.substring(0,a).toUpperCase()+c.substring(a)},"~S,~N");d(b,"toString",function(){return this.asString()});d(b,"asString",function(){return null==this.strName?this.strName=null==this.jmolId||this.jmolId.equals("0")?this.name:this.jmolId+" HM:"+this.hmSymbolFull+(null==this.getClegId()?"":" #"+this.getClegId()):this.strName});
d(b,"getDisplayName",function(){if(null==this.displayName){var c=null;null==this.jmolId||"--".equals(this.hallSymbol)?(c="",null!=this.hmSymbolFull&&!"--".equals(this.hmSymbol)&&(c=this.hmSymbolFull)):this.jmolId.equals("0")||(c=this.hmSymbolFull);null==c?c="["+this.hallSymbol+"]":null!=this.getClegId()&&(c+=" #"+this.getClegId());c.endsWith("2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c")&&(c=JU.PT.rep(c,"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c","r"));0<=c.indexOf("-- [--]")&&(c="");c.endsWith(":a,b,c")&&
(c=c.substring(0,c.length-6));this.displayName=c}return this.displayName});b.getSpaceGroups=d(b,"getSpaceGroups",function(){if(null==JS.SpaceGroup.SG){var c=JS.SpaceGroup.STR_SG.length;JS.SpaceGroup.nameToGroup=new java.util.Hashtable;for(var a=Array(c),e=0;e<c;e++)a[e]=new JS.SpaceGroup(e,JS.SpaceGroup.STR_SG[e],!0),JS.SpaceGroup.nameToGroup.put(a[e].jmolId,a[e]);System.out.println("SpaceGroup - "+c+" settings generated");JS.SpaceGroup.STR_SG=null;JS.SpaceGroup.SG=a}return JS.SpaceGroup.SG});d(b,
"addMagLatticeVectors",function(c){if(0<=this.latticeOp||0==c.size())return!1;for(var a=this.latticeOp=this.operationCount,e=c.get(0).length==this.modDim+4,b=-2,g=0;g<c.size();g++){var d=c.get(g);e&&(b=z(d[this.modDim+3]),d=JU.AU.arrayCopyF(d,this.modDim+3));if(d.length>this.modDim+3)return!1;for(var k=0;k<a;k++){var l=new JS.SymmetryOperation(null,0,!0);l.modDim=this.modDim;var j=this.symmetryOperations[k];l.divisor=j.divisor;l.linearRotTrans=JU.AU.arrayCopyF(j.linearRotTrans,-1);l.setFromMatrix(d,
!1);-2!=b&&l.setTimeReversal(j.timeReversal*b);l.xyzOriginal=l.xyz;this.addOp(l,l.xyz,!0)}}return!0},"JU.Lst");d(b,"addSpinLattice",function(c,a){if(!(null==c||0==c.size())){for(var e=this.operationCount,b=0;b<c.size();b++){var g=c.get(b);if(null!=a){var d=g.indexOf("(");if(0>g.indexOf(",",d))var k=a.get(g.substring(d+1,g.length-1)),g=g.substring(0,d+1)+k+")"}if(!g.equals("x,y,z(u,v,w)")){d=new JS.SymmetryOperation(null,0,!0);d.setMatrixFromXYZ(g,0,!0);d.doFinalize();for(var g=JU.M4.newM4(d.spinU),
k=new JU.M4,l=this.operationCount,j=0;j<e;j++){var q=this.symmetryOperations[j];q.doFinalize();var n=new JS.SymmetryOperation(q,0,!0);n.mul2(q,d);if(null==q.spinU)throw new RuntimeException("SpaceGroup operation "+(j+1)+" no spin indicated!");k.mul2(q.spinU,g);n.modDim=this.modDim;n.divisor=q.divisor;q=JS.SymmetryOperation.getXYZFromMatrix(n,!1,!0,!1)+JS.SymmetryOperation.getSpinString(k,!0);q=this.addOperation(q,l,!0);this.symmetryOperations[q].doFinalize();l++}}}this.latticeOp=e}},"JU.Lst,java.util.Map");
d(b,"getSiteMultiplicity",function(c,a){for(var e=this.finalOperations.length,b=new JU.Lst,g=e;0<=--g;){var d=JU.P3.newP(c);this.finalOperations[g].rotTrans(d);a.unitize(d);for(var k=b.size();0<=--k;){var l=b.get(k);if(1.96E-6>d.distanceSquared(l)){d=null;break}}null!=d&&b.addLast(d)}return F(e/b.size())},"JU.P3,JS.UnitCell");d(b,"setName",function(c){this.name=c;null!=c&&c.startsWith("HM:")&&this.setHMSymbol(c.substring(3));this.strName=this.displayName=null},"~S");b.getSpaceGroupFromJmolClegOrITA=
d(b,"getSpaceGroupFromJmolClegOrITA",function(c,a){var e=JS.SpaceGroup.getExplicitSpecialGroupType(a);if(0<e)return JS.Symmetry.getSGFactory().getSpecialGroup(c,null,a,e);var e=a.indexOf(":"),b=a.indexOf(","),g=a.indexOf("."),d=0<e&&b>e?e:g,b=JS.SpaceGroup.SG.length;if(0<d&&d==e)for(e=0;e<b;e++){if(a.equals(JS.SpaceGroup.SG[e].clegId))return JS.SpaceGroup.SG[e]}else if(0<e)for(e=0;e<b;e++){if(a.equals(JS.SpaceGroup.SG[e].jmolId))return JS.SpaceGroup.SG[e]}else if(0<g)for(e=0;e<b;e++){if(a.equals(JS.SpaceGroup.SG[e].itaIndex))return JS.SpaceGroup.SG[e]}else for(e=
0;e<b;e++)if(a.equals(JS.SpaceGroup.SG[e].itaNumber))return JS.SpaceGroup.SG[e];return null},"JV.Viewer,~S");d(b,"checkHallOperators",function(){null!=this.nHallOperators&&this.nHallOperators.intValue()!=this.operationCount&&(null==this.hallInfo||this.hallInfo.isGenerated()?this.generateMatrixOperators(this.hallInfo):(this.init(!1),this.doNormalize=!0,JS.SpaceGroup.transformSpaceGroup(0,this,JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(null,this.itaNumber),null,this.itaTransform,null),this.hallInfo=
null))});d(b,"getOpsCtr",function(c){var a=JS.SpaceGroup.getNull(!0,!0,!1);JS.SpaceGroup.transformSpaceGroup(this.groupType,a,this,null,"!"+c,null);a.setFinalOperations();var e=JS.SpaceGroup.getNull(!0,!1,!1);JS.SpaceGroup.transformSpaceGroup(this.groupType,e,a,null,c,null);e.setFinalOperations();return e.finalOperations},"~S");b.getSpaceGroupFromIndex=d(b,"getSpaceGroupFromIndex",function(c){return null!=JS.SpaceGroup.SG&&0<=c&&c<JS.SpaceGroup.SG.length?JS.SpaceGroup.SG[c]:null},"~N");d(b,"setITATableNames",
function(c,a,e,b){this.itaNumber=a;this.itaIndex=null!=b?a+":"+b:0<=e.indexOf(".")?e:a+"."+e;this.itaTransform=b;this.setClegId(this.specialPrefix+a+":"+b);this.strName=this.displayName=null;this.jmolId=c;null==c?(this.name=this.clegId,this.info=this.dumpInfoObj()):this.setJmolCode(c)},"~S,~S,~S,~S");b.transformCoords=d(b,"transformCoords",function(c,a,e,b,g,d){null==d&&(d=new JU.Lst);for(var k=0,l=c.size();k<l;k++){var j=JS.SymmetryOperation.transformStr(c.get(k),null,a,b,g,null,e,!0,!0);d.contains(j)||
d.addLast(j)}return d},"JU.Lst,JU.M4,JU.P3,JU.M4,~A,JU.Lst");b.getTransformRange=d(b,"getTransformRange",function(c){for(var a=C(2,3,0),e=C(4,0),b=0;3>b;b++){c.getRow(b,e);for(var g=0;3>g;g++){var d=e[g];0>d?a[0][b]+=-e[g]:0<d&&(a[1][b]+=e[g])}}c=!0;for(e=b=0;2>b;b++,e++)for(g=0;3>g;g++)d=F(Math.ceil(a[b][g])),d>e&&(c=!1),a[b][g]=0==b?-d:d;return c?null:a},"JU.M4");b.getTransformedCentering=d(b,"getTransformedCentering",function(c,a){var e=JU.M4.newM4(c);e.invert();var b=a.size(),g=new JU.P3,d=new JU.P3,
k=JS.SpaceGroup.getTransformRange(c);if(null!=k)for(var l=JS.SpaceGroup.addCentering(e,k,g,d,a,0);0<=--b&&3>l;)JS.SymmetryOperation.toPoint(a.removeItemAt(b),g),l=JS.SpaceGroup.addCentering(e,k,g,d,a,l);return e},"JU.M4,JU.Lst");b.addCentering=d(b,"addCentering",function(c,a,e,b,g,d){for(var k=z(a[0][0]);k<=a[1][0];k++)for(var l=z(a[0][1]);l<=a[1][1];l++)for(var j=z(a[0][2]);j<=a[1][2];j++)if(b.set(k,l,j),b.add(e),c.rotTrans(b),0!=b.length()%1){b.x%=1;b.y%=1;b.z%=1;var q=JS.SymmetryOperation.norm3(b);
if(!q.equals("0,0,0")&&!g.contains(q)&&(g.addLast(q),3==++d))return 3}return d},"JU.M4,~A,JU.P3,JU.P3,JU.Lst,~N");b.fillMoreData=d(b,"fillMoreData",function(c,a,e,b,d){var h=e.indexOf(":"),h=0>h?"a,b,c":e.substring(h+1),k=JS.UnitCell.toTrm(h,null),l=d.get("gp"),j=d.get("wpos"),q=j.get("cent");d=new JU.Lst;null!=q&&d.addAll(q);for(var n=d.size(),p=JS.SpaceGroup.getTransformedCentering(k,d),q=d.size(),m=j.get("pos"),j=new JU.Lst,s=new JU.M4,r=C(16,0),t=(q+1)/(n+1),n=0,v=m.size();n<v;n++){var A=m.get(n),
x=new java.util.Hashtable;x.putAll(A);var D=A.get("coord");null!=D&&(D=JS.SpaceGroup.transformCoords(D,p,null,s,r,null),x.put("coord",D));A=A.get("mult").intValue();x.put("mult",Integer.$valueOf(z(A*t)));j.addLast(x)}m=new JU.Lst;JS.SpaceGroup.transformCoords(l,p,null,s,r,m);if(0<q)for(n=0;n<q;n++)x=new JU.P3,JS.SpaceGroup.transformCoords(l,p,JS.SymmetryOperation.toPoint(d.get(n),x),s,r,m);null==a?(a=new java.util.Hashtable,a.put("sg",Integer.$valueOf(b)),a.put("trm",h),a.put("clegId",b+":"+h),a.put("det",
Float.$valueOf(k.determinant3()))):a.remove("more");b=new java.util.Hashtable;0<q&&b.put("cent",d);b.put("pos",j);a.put("wpos",b);m=new JU.Lst;c=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(c,e);c=JS.SpaceGroup.transformSpaceGroup(0,null,c,l,h,new JU.M4);n=0;for(v=c.getOperationCount();n<v;n++)m.addLast(c.getOperation(n).xyz);a.put("gp",m);return a},"JV.Viewer,java.util.Map,~S,~N,java.util.Map");b.transformSpaceGroup=d(b,"transformSpaceGroup",function(c,a,e,b,d,h){if(null==b){e.setFinalOperationsSafely();
b=new JU.Lst;for(var k=0,l=e.getOperationCount();k<l;k++)b.addLast(e.getXyz(k,!1))}b=JS.SpaceGroup.addTransformXYZList(a,b,d,h,null==a||a.doNormalize);if(null==a)return JS.SpaceGroup.createITASpaceGroup(c,b,e);null==d?a.setFrom(e,!0):a.setITATableNames(a.jmolId,a.itaNumber,"1",d);return a},"~N,JS.SpaceGroup,JS.SpaceGroup,JU.Lst,~S,JU.M4");b.createITASpaceGroup=d(b,"createITASpaceGroup",function(c,a,e){c=0==c?new JS.SpaceGroup(-1,"0;--;--;0;--;--;--",!0):JS.Symmetry.getSGFactory().createSpecialGroup(e,
null,null,c);c.doNormalize=!1;for(var b=0,d=a.size();b<d;b++){var h=new JS.SymmetryOperation(null,b,!1),k=a.get(b);h.setMatrixFromXYZ(k,0,!1);c.addOp(h,k,!1)}null!=e&&c.setFrom(e,!0);c.setFinalOperationsSafely();return c},"~N,JU.Lst,JS.SpaceGroup");b.addTransformXYZList=d(b,"addTransformXYZList",function(c,a,e,b,d){var h=null,k=null,l=null,j=null,q=a.size();null!=e&&(e.equals("r")&&(e="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"),b=JS.UnitCell.toTrm(e,b),h=JU.M4.newM4(b),h.invert(),k=Math.round(b.determinant3()),
1<k&&(j=JS.SpaceGroup.getTransformRange(b),q*=k),l=C(16,0),k=new JU.M4);e=JS.SpaceGroup.addTransformedOperations(c,a,b,h,k,l,null==c?new JU.Lst:null,null,d);if(null!=j)for(var n=new JU.P3,p=z(j[0][2]);p<=j[1][2];p++)for(var m=z(j[0][1]);m<=j[1][1];m++)for(var s=z(j[0][0]);s<j[1][0];s++)if(!(0==s&&0==m&&0==p)&&(n.set(s,m,p),null!=JS.SpaceGroup.addTransformedOperations(c,a,b,h,k,l,e,n,d)&&e.size()==q))return e;return null==c?e:null},"JS.SpaceGroup,JU.Lst,~S,JU.M4,~B");b.addTransformedOperations=d(b,
"addTransformedOperations",function(c,a,e,b,d,h,k,l,j){null!=c&&(c.latticeOp=0);for(var q=0,n=a.size();q<n;q++){var p=a.get(q);if(null!=e&&(0<q||null!=l))p=JS.SymmetryOperation.transformStr(p,e,b,d,h,l,null,j,!1);null!=c?c.addOperation(p,0,!1):k.contains(p)||k.addLast(p)}return k},"JS.SpaceGroup,JU.Lst,JU.M4,JU.M4,JU.M4,~A,JU.Lst,JU.P3,~B");m(b,"getMatrixOperation",function(c){return this.symmetryOperations[c]},"~N");m(b,"getMatrixOperationCount",function(){return this.operationCount});m(b,"addHallOperationCheckDuplicates",
function(c){var a=JS.SymmetryOperation.getXYZFromMatrix(c,!0,!0,!1);if(0<=this.checkXYZlist(a))return!1;this.addSymmetrySM("!nohalf!"+a,c);return!0},"JU.M4");b.canonicalizeCleg=d(b,"canonicalizeCleg",function(c){0>c.indexOf(":")?c+=":a,b,c;0,0,0":0<c.indexOf(",")&&0>c.indexOf(";")&&(c+=";0,0,0");return c},"~S");b.convertWyckoffHMCleg=d(b,"convertWyckoffHMCleg",function(c,a){if(null==JS.SpaceGroup.HMtoCleg){JS.SpaceGroup.HMtoCleg=new java.util.Hashtable;JS.SpaceGroup.ClegtoHM=new java.util.Hashtable;
for(var e=JS.SpaceGroup.moreSettings.length;0<=--e;){var b=JS.SpaceGroup.moreSettings[e],d=JS.SpaceGroup.moreSettings[--e],d=JU.PT.rep(d," ","");JS.SpaceGroup.ClegtoHM.put(b,d);JS.SpaceGroup.HMtoCleg.put(d,b)}}return null!=c?JS.SpaceGroup.HMtoCleg.get(JU.PT.rep(c," ","")):JS.SpaceGroup.ClegtoHM.get(a)},"~S,~S");d(b,"getHMName",function(){return this.hmSymbol});d(b,"getHMNameShort",function(){return null==this.hmSymbolAbbrShort?this.hmSymbol:this.hmSymbolAbbrShort});b.getITNo=d(b,"getITNo",function(c,
a){0>=a&&(a=c.length);for(var e=a;0<=--e;)if(!JU.PT.isDigit(c.charAt(e)))return-2147483648;return Integer.parseInt(c.substring(0,a))},"~S,~N");b.isInRange=d(b,"isInRange",function(c,a,e,b){var d=JS.SpaceGroup.getMax(a);switch(a){case 0:if(b)return a=z(c),b=JS.SpaceGroup.getImplicitSpecialGroupType(a),300==b&&(e=!1),-1!=b&&(e||a==c);break;case 300:e=!1}return 1<=c&&(e?c<d+1:c<=d)},"~N,~N,~B,~B");b.getMax=d(b,"getMax",function(c){switch(c){case 0:return 230;case 300:return 17;case 400:return 80;case 500:return 75;
case 600:return 7;default:return 0}},"~N");b.getGroupTypePrefix=d(b,"getGroupTypePrefix",function(c){switch(c-c%100){case 300:return"p/";case 400:return"l/";case 500:return"r/";case 600:return"f/"}return""},"~N");b.getExplicitSpecialGroupType=d(b,"getExplicitSpecialGroupType",function(c){if(2>c.length||"/"!=c.charAt(1))return 0;switch(c.substring(0,2)){case "p/":return 300;case "l/":return 400;case "r/":return 500;case "f/":return 600;default:return-1}},"~S");b.getSpecialGroupName=d(b,"getSpecialGroupName",
function(c){switch(c){case 0:return"";case 300:return"plane";case 400:return"layer";case 500:return"rod";case 600:return"frieze";default:return null}},"~N");b.getImplicitSpecialGroupType=d(b,"getImplicitSpecialGroupType",function(c){return 1>c?-1:230>=c?0:300<c&&317>=c?300:400<c&&480>=c?400:500<c&&575>=c?500:600<c&&607>=c?600:-1},"~N");b.hmMatches=d(b,"hmMatches",function(c,a,e){"/"==c.charAt(1)&&(c=c.substring(2));if(c.charAt(0)!=a.charAt(0))return!1;0>a.indexOf(" ")&&(c=JU.PT.rep(c," ",""));if(c.equals(a))return!0;
if(300==e){e=c.length;if(e<=a.length)return!1;var b=a.charAt(1);switch(a.length){case 2:return 4==e&&"1"==c.charAt(1)&&b==c.charAt(2);case 3:return"2"==c.charAt(1)?c.charAt(2)==b&&c.charAt(3)==a.charAt(2):"m"==c.charAt(e-1)&&c.startsWith(a)}}return!1},"~S,~S,~N");d(b,"createCompatibleUnitCell",function(c,a,e){var b=null==this.itaNumber?0:JU.PT.parseInt(this.itaNumber),d=!1,h=!1,k=!1,l=!1,h=(d=0!=b&&this.isHexagonalSG(b,null))&&this.isHexagonalSG(-1,c),l=(k=0!=b&&"r"==this.axisChoice)&&JU.SimpleUnitCell.isRhombohedral(c);
if(d&&h||k&&l)e=!0;var j=new JS.SpaceGroup.ParamCheck(c,e,!0);if(b>(e?2:0))if(d){if(!(k?l:h))"r"==this.axisChoice?(j.c=j.b=j.a,!e&&(85<j.alpha&&95>j.alpha)&&(j.alpha=80),j.gamma=j.beta=j.alpha):(j.b=j.a,j.alpha=j.beta=90,j.gamma=120)}else if(195<=b)j.c=j.b=j.a,j.alpha=j.beta=j.gamma=90;else if(75<=b)j.b=j.a,j.acsame&&!e&&(j.c=1.5*j.a),j.alpha=j.beta=j.gamma=90;else if(16<=b)j.alpha=j.beta=j.gamma=90;else if(3<=b)switch(this.uniqueAxis.charCodeAt(0)){case 97:j.beta=j.gamma=90;break;default:case 98:j.alpha=
j.gamma=90;break;case 99:j.alpha=j.beta=90}return j.checkNew(c,null==a?c:a)},"~A,~A,~B");d(b,"isHexagonalSG",function(c,a){return 1>c?JU.SimpleUnitCell.isHexagonal(a):143<=c&&194>=c},"~N,~A");d(b,"mapSpins",function(c){for(var a,e=this.operationCount;0<=--e;){a=this.symmetryOperations[e];var b=null==a.suvwkey?null:c.get(a.suvwkey);null!=a.suvwkey&&null==b?System.err.println("SpaceGroup key "+a.suvwkey):a.setSpin(b)}},"java.util.Map");d(b,"setMatrixOperationCount",function(a){if(a!=this.operationCount){for(var f=
Array(a),e=a;0<=--e;)f[e]=this.symmetryOperations[e];this.symmetryOperations=f;this.operationCount=a}},"~N");d(b,"setSpinList",function(a){if(null!=this.spinList)return this.spinList;this.spinConfiguration=a;var f=new JU.Lst;f.addLast("u,v,w");a="Coplanar".equals(a);for(var e=0;e<this.operationCount;e++){var b=this.symmetryOperations[e];if(null==b.suvw)break;if(!(a&&0>b.timeReversal)){var d=f.indexOf(b.suvw);0>d&&(d=f.size(),f.addLast(b.suvw));b.spinIndex=d}}return this.spinList=f},"~S");var a=L(function(){this.gamma=
this.beta=this.alpha=this.c=this.b=this.a=0;this.acsame=!1;Q(this,arguments)},JS.SpaceGroup,"ParamCheck",null);Z(a,function(a,f,e){this.a=a[0];this.b=a[1];this.c=a[2];this.alpha=a[3];this.beta=a[4];this.gamma=a[5];f||this.checkParams(e)},"~A,~B,~B");d(a,"checkParams",function(a){if(0<this.b&&this.a>this.b){var f=this.a;this.a=this.b;this.b=f}a&&(0<this.c&&JU.SimpleUnitCell.approx0(this.b-this.c))&&(this.c=1.5*this.b);JU.SimpleUnitCell.approx0(this.a-this.b)&&(this.b=1.2*this.a);JU.SimpleUnitCell.approx0(this.gamma-
90)&&(this.gamma=130);if(a){if(this.acsame=0<this.c&&JU.SimpleUnitCell.approx0(this.c-this.a))this.c=1.1*this.a;JU.SimpleUnitCell.approx0(this.alpha-90)&&(this.alpha=80);JU.SimpleUnitCell.approx0(this.beta-90)&&(this.beta=100);this.alpha>this.beta&&(f=this.alpha,this.alpha=this.beta,this.beta=f);a=JU.SimpleUnitCell.approx0(this.alpha-this.beta);var f=JU.SimpleUnitCell.approx0(this.beta-this.gamma),e=JU.SimpleUnitCell.approx0(this.gamma-this.alpha);a&&(this.beta=1.2*this.alpha);f&&(this.gamma=1.3*
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b.HMtoCleg=null;b.ClegtoHM=null;JS.SpaceGroup.getSpaceGroups()});V("JS");da(["JU.P3"],"JS.SpaceGroupFinder","java.util.Arrays JU.BS $.Lst $.M4 $.Measure $.PT $.V3 J.api.Interface JS.SpaceGroup $.SymmetryOperation JU.BSUtil JV.FileManager".split(" "),function(){var b=L(function(){this.atoms=this.cartesians=this.sg=this.uc=this.vwr=null;this.nAtoms=0;this.unitCellParams=this.xyzList=null;this.slop=0;this.asString=this.isSupercell=this.$checkSupercell=this.isUnknown=this.isAssign=this.isCalcOnly=!1;
this.pTemp=this.scaling=this.oabc=this.origin=this.targets=this.bsAtoms=this.bsPoints0=null;this.groupType=this.isg=0;this.isSpecialGroup=!1;this.zero=this.vectorBC=this.vectorBA=null;this.isQuery=!1;Da("JS.SpaceGroupFinder.SGAtom")||JS.SpaceGroupFinder.$SpaceGroupFinder$SGAtom$();Q(this,arguments)},JS,"SpaceGroupFinder",null);la(b,function(){this.pTemp=new JU.P3});Z(b,function(){});d(b,"findSpaceGroup",function(a,c,f,e,b,d,h,k){this.vwr=a;this.xyzList=f;this.unitCellParams=e;this.origin=b;this.oabc=
d;this.uc=h;this.isCalcOnly=0!=(k&16);this.isAssign=0!=(k&2);this.$checkSupercell=0!=(k&8);this.asString=0!=(k&1);f=0!=(k&4);d=this.uc.getPrecision();this.slop=!Float.isNaN(d)?d:null!=e&&26<e.length?e[26]:1E-4;Float.isNaN(this.slop)&&(this.slop=1E-6);this.cartesians=a.ms.at;this.bsPoints0=new JU.BS;if(null==this.xyzList||this.isAssign)this.bsAtoms=JU.BSUtil.copy(c),this.nAtoms=this.bsAtoms.cardinality();this.isQuery=null!=this.xyzList&&0<=this.xyzList.indexOf("&");this.targets=JU.BS.newN(this.nAtoms);
this.scaling=JU.P3.new3(1,1,1);this.isUnknown=!0;a=null!=this.xyzList&&this.xyzList.toUpperCase().startsWith("ITA/");d=null!=this.xyzList&&!a&&(this.xyzList.startsWith("[")||this.xyzList.startsWith("Hall:"));if(this.isAssign&&d||!d&&(a||(a=this.checkWyckoffHM()))){this.isUnknown=!1;this.xyzList=a?JU.PT.rep(this.xyzList.substring(4)," ",""):this.xyzList.startsWith("Hall:")?this.xyzList.substring(5):JU.PT.replaceAllCharacters(this.xyzList,"[]","");this.sg=this.setITA(d);if(null==this.sg)return null;
this.sg.getName()}else if(null!=this.oabc||d){if(a=this.xyzList,null!=a&&(this.sg=JS.SpaceGroup.createSpaceGroupN(a,d)),this.isUnknown=null==this.sg,d&&!this.isUnknown)return this.sg.dumpInfoObj()}else if(!this.isQuery&&JS.SpaceGroup.isXYZList(this.xyzList)&&(this.sg=JS.SpaceGroup.findSpaceGroupFromXYZ(this.xyzList),null!=this.sg))return this.sg.dumpInfoObj();if(f){if(null==this.sg&&null==(this.sg=JS.SpaceGroup.determineSpaceGroupNA(this.xyzList,e))&&null==(this.sg=JS.SpaceGroup.createSpaceGroupN(this.xyzList,
!1)))return null;f=new JU.BS;a=this.sg.asString();null==this.oabc?(this.uc=this.setSpaceGroupAndUnitCell(this.sg,e,null,6==e.length),this.oabc=this.uc.getUnitCellVectors(),null!=b&&this.oabc[0].setT(b)):(this.uc=this.setSpaceGroupAndUnitCell(this.sg,null,this.oabc,!1),this.uc.transformUnitCell(h.saveOrRetrieveTransformMatrix(null)))}else{e=this.findGroupByOperations();if(!this.isAssign||!I(e,"JS.SpaceGroup"))return e;this.sg=e;a=this.sg.asString();f=JU.BSUtil.copy(this.bsAtoms);for(e=this.targets.nextSetBit(0);0<=
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c.put("name",a);c.put("basis",f);this.isSupercell&&c.put("supercell",this.scaling);this.oabc[1].scale(1/this.scaling.x);this.oabc[2].scale(1/this.scaling.y);this.oabc[3].scale(1/this.scaling.z);c.put("unitcell",this.oabc);this.isAssign&&c.put("sg",this.sg);return c},"JV.Viewer,JU.BS,~S,~A,JU.T3,~A,J.api.SymmetryInterface,~N");d(b,"checkWyckoffHM",function(){if(null!=this.xyzList&&0>this.xyzList.indexOf(",")){var a=JS.SpaceGroup.convertWyckoffHMCleg(this.xyzList,null);if(null!=a)return this.xyzList=
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!0,c-=2);!d&&(!a&&!e&&!(0<c)&&-2147483648!=JU.PT.parseInt(k))&&(this.xyzList+=".1");var l=null,l=this.xyzList;if(a){if(d=this.uc.getSpaceGroupInfoObj("nameToXYZList","Hall:"+this.xyzList,!1,!1),null==d)return null}else{c=e?h:l;this.sg=JS.SpaceGroup.getSpaceGroupFromJmolClegOrITA(this.vwr,e?b:l);f=this.uc.getSpaceGroupJSON("ITA",l,0);if(null==f||"string"==typeof f)return null;if(d||e){a=f.get("its");if(null==a)return null;for(var f=null,b=0,j=a.size();b<j;b++)if(l=a.get(b),c.equals(l.get(e?"trm":"jmolId"))){f=
l;break}if(null==f||!this.isSpecialGroup&&!f.containsKey("jmolId")){if(d)return null;null!=f&&(h=f.get("trm"));e=!0;f=a.get(0)}else e=!1,h=null}else f.get("jmolId");d=f.get("gp")}if(null!=this.sg&&null==h)return this.sg=JS.SpaceGroup.createITASpaceGroup(this.sg.groupType,d,this.sg);this.sg=JS.SpaceGroup.transformSpaceGroup(this.groupType,null,this.sg,d,e?h:null,e?new JU.M4:null);if(null==this.sg)return null;this.sg.itaNumber.equals("0")&&(null==h?(f.get("trm"),f=f.get("hm"),this.sg.setHMSymbol(f)):
this.sg.setITATableNames(null,k,null,h),System.out.println("SpaceGroupFinder: new setting: "+this.sg.asString()));return this.sg},"~B");d(b,"findGroupByOperations",function(){var a=new JU.BS,c=new JU.BS,f=0,e=0;try{this.isUnknown?null==JS.SpaceGroupFinder.bsOpGroups&&JS.SpaceGroupFinder.loadData(this.vwr):c.set(0);if(null!=this.xyzList){if(this.isUnknown){var b=this.getGroupsWithOps();if(!this.isAssign||null==b)return b;this.sg=b}null==this.oabc&&this.uc.setUnitCellFromParams(this.unitCellParams,
!1,this.slop)}var d=this.uc;null==this.oabc?(this.oabc=this.uc.getUnitCellVectors(),this.uc=this.uc.getUnitCellMultiplied(),null!=this.origin&&!this.origin.equals(this.uc.getCartesianOffset())&&(this.oabc[0].setT(this.origin),this.uc.setCartesianOffset(this.origin))):this.uc.getUnitCell(this.oabc,!1,"finder");if(this.isUnknown)this.filterGroups(c,this.uc.getUnitCellParams());else if(0==this.nAtoms)return this.sg;if(null!=this.bsAtoms){this.atoms=Array(this.bsAtoms.cardinality());System.out.println("bsAtoms = "+
this.bsAtoms);for(var h=0,k=this.bsAtoms.nextSetBit(0);0<=k;k=this.bsAtoms.nextSetBit(k+1),h++){var l=this.cartesians[k],j=l.getAtomicAndIsotopeNumber();(this.atoms[h]=pa(JS.SpaceGroupFinder.SGAtom,this,null,j,k,l.getAtomName(),l.getOccupancy100())).setT(this.toFractional(l,this.uc))}}var q=JU.BSUtil.newBitSet2(0,this.nAtoms);this.nAtoms=q.cardinality();d=this.uc;if(0<this.nAtoms){for(k=q.nextSetBit(0);0<=k;k=q.nextSetBit(k+1))this.uc.unitize(this.atoms[k]);this.removeDuplicates(q);if(this.$checkSupercell&&
(this.uc=this.checkSupercell(this.vwr,this.uc,q,1,this.scaling),this.uc=this.checkSupercell(this.vwr,this.uc,q,2,this.scaling),this.uc=this.checkSupercell(this.vwr,this.uc,q,3,this.scaling),this.isSupercell=this.uc!==d))1!=this.scaling.x&&System.out.println("supercell found; a scaled by 1/"+this.scaling.x),1!=this.scaling.y&&System.out.println("supercell found; b scaled by 1/"+this.scaling.y),1!=this.scaling.z&&System.out.println("supercell found; c scaled by 1/"+this.scaling.z)}f=q.cardinality();
this.bsAtoms=new JU.BS;for(var n=Array(f),h=0,k=q.nextSetBit(0);0<=k;k=q.nextSetBit(k+1))l=this.atoms[k],n[h++]=l,this.isSupercell&&(l.setT(this.toFractional(this.cartesians[l.index],this.uc)),this.uc.unitize(l)),this.bsAtoms.set(this.atoms[k].index);this.atoms=n;this.nAtoms=f;q.clearAll();q.setBits(0,this.nAtoms);this.bsPoints0=JU.BS.copy(q);var p=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT),m=JU.BS.newN(this.nAtoms);a.setBits(1,null==this.sg?JS.SpaceGroupFinder.OP_COUNT:this.sg.getOperationCount());
0==this.nAtoms&&(c.clearBits(1,JS.SpaceGroupFinder.GROUP_COUNT),a.clearAll());var s=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT),r=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT);r.set(0);for(var h=!1,b=0,t=a.nextSetBit(1);0<t&&!c.isEmpty();t=a.nextSetBit(t+1)){var v=null==this.sg?JS.SpaceGroupFinder.getOp(t):this.sg.getOperation(t);null==this.sg&&(System.out.println("\n"+ ++b+" Checking operation "+t+" "+JS.SpaceGroupFinder.opXYZ[t]),System.out.println("bsGroups = "+c),System.out.println("bsOps = "+a),e++);
d=!0;q.clearAll();q.or(this.bsPoints0);m.clearAll();for(k=q.nextSetBit(0);0<=k;k=q.nextSetBit(k+1)){q.clear(k);var A=this.findEquiv(t,v,k,q,!0);if(0>A&&null==this.sg){System.out.println("failed op "+t+" for atom "+k+" "+this.atoms[k].name+" "+this.atoms[k]+" looking for "+this.pTemp+"\n"+v);d=!1;break}0<=A&&k!=A&&m.set(A)}if(null==this.sg){var x=JS.SpaceGroupFinder.bsOpGroups[t];a.clear(t);r.set(t);if(d)1==t&&(h=!0),this.targets.or(m);else{c.andNot(x);p.clearAll();for(k=c.nextSetBit(0);0<=k;k=c.nextSetBit(k+
1))p.or(JS.SpaceGroupFinder.bsGroupOps[k]);a.and(p)}}else this.targets.or(m)}if(null==this.sg&&(f=c.cardinality(),0==f&&(c.set(h?1:0),f=1,h&&!this.asString&&(s.clearAll(),s.set(1),r.clearAll(),this.targets.clearAll(),q.or(this.bsPoints0))),this.isg=c.nextSetBit(0),1==f&&0<this.isg)){var D=JS.SpaceGroupFinder.bsGroupOps[this.isg];r.and(D);s.and(D);s.andNot(r);s.or(D);s.clear(0);q.or(this.bsPoints0);this.checkBasis(s,q)||(System.out.println("failed checkBasis"),this.isg=0)}}catch(w){if(ha(w,Exception))w.printStackTrace(),
c.clearAll();else throw w;}if(null==this.sg){System.out.println("checked "+e+" operations; now "+f+" groups="+c+" ops="+a);a=Array(c.cardinality());h=0;for(k=c.nextSetBit(0);0<=k;k=c.nextSetBit(k+1))(a[h++]=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[k])).sfIndex=k;java.util.Arrays.sort(a,(Da("JS.SpaceGroupFinder$1")?0:JS.SpaceGroupFinder.$SpaceGroupFinder$1$(),pa(JS.SpaceGroupFinder$1,this,null)));for(k=a.length;0<=--k&&!this.checkUnitCell(a[k]);)System.out.println("SpaceGroupFinder unit cell check failed for "+
JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[k])),f--,c.clear(a[k].sfIndex);System.out.println("SpaceGroupFinder found "+c.cardinality()+" possible groups");this.isg=c.length()-1;if(0>this.isg)return null;this.sg=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[this.isg])}return this.sg});d(b,"checkUnitCell",function(a){if(3>a.itaNo||16<=a.itaNo)return!0;null==this.zero&&(this.vectorBA=new JU.V3,this.vectorBC=new JU.V3,this.zero=new JU.P3);a=a.getClegId();a=a.substring(a.indexOf(":")+
1);var c=this.uc.staticConvertOperation("!"+a,null,null);a=JU.P3.new3(1,0,0);var f=JU.P3.new3(0,1,0),b=JU.P3.new3(0,0,1);c.rotTrans(a);c.rotTrans(f);c.rotTrans(b);this.uc.toCartesian(a,!0);this.uc.toCartesian(f,!0);this.uc.toCartesian(b,!0);c=JU.Measure.computeAngle(a,this.zero,f,this.vectorBA,this.vectorBC,!0);a=JU.Measure.computeAngle(a,this.zero,f,this.vectorBA,this.vectorBC,!0);return this.approx0(c-90)&&this.approx0(a-90)},"JS.SpaceGroup");b.nameToGroup=d(b,"nameToGroup",function(a){var c="0"!=
a.charAt(0)?0:"0"!=a.charAt(1)?1:2;return JS.SpaceGroup.nameToGroup.get(a.substring(c))},"~S");d(b,"setSpaceGroupAndUnitCell",function(a,c,f,b){var d=J.api.Interface.getSymmetry(this.vwr,"sgf");d.setSpaceGroupTo(a);null==f?(f=C(6,0),a.createCompatibleUnitCell(c,f,b)||(f=c),d.setUnitCellFromParams(f,!1,NaN)):d.getUnitCell(f,!1,"modelkit");return d},"JS.SpaceGroup,~A,~A,~B");d(b,"removeDuplicates",function(a){for(var c=a.nextSetBit(0);0<=c;c=a.nextSetBit(c+1))for(var f=this.atoms[c],b=a.nextSetBit(0);b<
c;b=a.nextSetBit(b+1)){var d=this.atoms[b];if(f.typeAndOcc==d.typeAndOcc&&1.96E-6>f.distanceSquared(d)){a.clear(c);break}}},"JU.BS");d(b,"dumpBasis",function(){},"JU.BS,JU.BS,JU.BS");d(b,"checkBasis",function(a,c){var f=a.cardinality();if(0==f)return!0;var b=new JU.BS;b.or(c);System.out.println("finishing check for basis for "+f+" operations");for(f=a.nextSetBit(0);0<=f;f=a.nextSetBit(f+1)){var d=JS.SpaceGroupFinder.getOp(f);b.or(c);for(var g=b.nextSetBit(0);0<=g;g=b.nextSetBit(g+1))if(0>this.findEquiv(-1,
d,g,b,!1))return!1}return!0},"JU.BS,JU.BS");d(b,"filterGroups",function(a,c){var f=!1,b=!1,d=!1,g=!1,h=!1,k=this.approx001(c[0]-c[1]),l=this.approx001(c[1]-c[2]);90==c[3]?90==c[4]&&(k&&c[0]!=c[1]&&System.out.println("OHOH - very close a,b distance"),d=k&&this.approx001(c[5]-120),90==c[5]&&(h=k&&c[1]==c[2],b=!h&&k,f=!h&&!b)):k&&(l&&this.approx001(c[3]-c[4])&&this.approx001(c[4]-c[5]))&&(g=!0);a.setBits(0,2);for(l=k=2;;){l=JS.SpaceGroupFinder.scanTo(l,"16");if(!f&&!b&&!d&&!g&&!h)break;l=JS.SpaceGroupFinder.scanTo(l,
"75");if(!b&&!d&&!g&&!h)break;l=JS.SpaceGroupFinder.scanTo(l,"143");if(!d&&!g&&!h)break;for(k=l;;l++){f=JS.SpaceGroupFinder.groupNames[l];if(0<=f.indexOf(":r")){if(!g)continue;a.set(l)}if(f.startsWith("195")){if(g)return;break}}if(!h)break;a.setBits(2,k);k=l;l=JS.SpaceGroupFinder.GROUP_COUNT;break}a.setBits(k,l)},"JU.BS,~A");d(b,"approx001",function(a){return 0.001>Math.abs(a)},"~N");b.scanTo=d(b,"scanTo",function(a,c){c="000"+c;for(c=c.substring(c.length-3);!JS.SpaceGroupFinder.groupNames[a].startsWith(c);a++);
return a},"~N,~S");d(b,"getGroupsWithOps",function(){var a=new JU.BS;null==this.unitCellParams?a.setBits(0,JS.SpaceGroupFinder.GROUP_COUNT):this.filterGroups(a,this.unitCellParams);var c=null;if(!JS.SpaceGroup.isXYZList(this.xyzList)){c=JS.SpaceGroup.determineSpaceGroupNA(this.xyzList,this.unitCellParams);if(null==c)return null;c.checkHallOperators();for(var f="00"+c.jmolId,b=f.indexOf(":"),f=f.substring((0>b?f.length:b)-3),b=0;b<JS.SpaceGroupFinder.GROUP_COUNT;b++)if(JS.SpaceGroupFinder.groupNames[b].equals(f)){if(!a.get(b))break;
if(null!=this.unitCellParams&&(this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop),!this.checkUnitCell(c)))break;return c}return null}for(var c=!this.isQuery||this.isAssign,f=JU.PT.split(JU.PT.trim(this.xyzList.trim().$replace("&",";"),";="),";"),d=f.length;0<=--d;){var g=f[d];if(null==g)return"?"+f[d]+"?";g=JS.SymmetryOperation.getJmolCanonicalXYZ(g);for(b=JS.SpaceGroupFinder.opXYZ.length;0<=--b;){if(JS.SpaceGroupFinder.opXYZ[b].equals(g)){a.and(JS.SpaceGroupFinder.bsOpGroups[b]);break}0==
b&&a.clearAll()}}if(a.isEmpty())return this.isAssign?JS.SpaceGroup.createSpaceGroupN(this.xyzList,!0):null;if(c){c=f.length;for(b=a.nextSetBit(0);0<=b;b=a.nextSetBit(b+1))if(JS.SpaceGroupFinder.bsGroupOps[b].cardinality()==c)return this.sg=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[b]),this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop),!this.checkUnitCell(this.sg)&&this.isAssign?JS.SpaceGroup.createSpaceGroupN(JS.SpaceGroupFinder.groupNames[b],!0):JS.SpaceGroup.getInfo(null,
JS.SpaceGroupFinder.groupNames[b],this.unitCellParams,!0,!1);return null}c=new JU.Lst;this.uc.setUnitCellFromParams(this.unitCellParams,!1,this.slop);for(b=a.nextSetBit(0);0<=b;b=a.nextSetBit(b+1))f=JS.SpaceGroupFinder.nameToGroup(JS.SpaceGroupFinder.groupNames[b]),this.checkUnitCell(f)&&c.addLast(f.getClegId());return c});d(b,"toFractional",function(a,c){this.pTemp.setT(a);c.toFractional(this.pTemp,!1);return this.pTemp},"JM.Atom,J.api.SymmetryInterface");b.getOp=d(b,"getOp",function(a){var c=JS.SpaceGroupFinder.ops[a];
null==c&&(JS.SpaceGroupFinder.ops[a]=c=new JS.SymmetryOperation(null,a,!1),c.setMatrixFromXYZ(JS.SpaceGroupFinder.opXYZ[a],0,!1),c.doFinalize());return c},"~N");d(b,"checkSupercell",function(a,c,f,b,d){if(f.isEmpty())return c;for(var g=2147483647,h=-2147483648,k=O(101,0),l=f.cardinality(),j=f.nextSetBit(0);0<=j;j=f.nextSetBit(j+1))for(var q=this.atoms[j],n=q.typeAndOcc,p,m,s=f.nextSetBit(0);0<=s;s=f.nextSetBit(s+1))if(!(s==j||(p=this.atoms[s]).typeAndOcc!=n)){this.pTemp.sub2(p,q);switch(b){case 1:if(this.approx0(m=
this.pTemp.x)||!this.approx0(this.pTemp.y)||!this.approx0(this.pTemp.z))continue;break;case 2:if(this.approx0(m=this.pTemp.y)||!this.approx0(this.pTemp.x)||!this.approx0(this.pTemp.z))continue;break;default:case 3:if(this.approx0(m=this.pTemp.z)||!this.approx0(this.pTemp.x)||!this.approx0(this.pTemp.y))continue}var r=this.approxInt(1/m);0==r||(F(l/r)!=1*l/r||100<r)||(r>h&&(h=r),r<g&&(g=r),k[r]++)}for(r=h;r>=g&&!(0<k[r]&&k[r]==F((r-1)*l/r));)--r;if(r<g)return c;g=c.getUnitCellVectors();g[b].scale(1/
r);switch(b){case 1:d.x=r;break;case 2:d.y=r;break;case 3:d.z=r}(c=J.api.Interface.getSymmetry(a,"sgf")).getUnitCell(g,!1,"scaled");m=0;for(j=f.nextSetBit(0);0<=j;j=f.nextSetBit(j+1)){switch(b){case 1:m=this.approxInt(r*this.atoms[j].x);break;case 2:m=this.approxInt(r*this.atoms[j].y);break;case 3:m=this.approxInt(r*this.atoms[j].z)}0!=m&&(this.atoms[j]=null,f.clear(j))}f.cardinality();return c},"JV.Viewer,JS.Symmetry,JU.BS,~N,JU.P3");d(b,"approx0",function(a){return Math.abs(a)<this.slop},"~N");
d(b,"approxInt",function(a){var c=z(a+this.slop);return this.approx0(a-c)?c:0},"~N");d(b,"findEquiv",function(a,c,f,b,d){a=this.atoms[f];this.pTemp.setT(a);c.rotTrans(this.pTemp);this.uc.unitize(this.pTemp);if(0==this.pTemp.distanceSquared(a))return f;c=a.typeAndOcc;for(a=this.nAtoms;0<=--a;){var g=this.atoms[a];if(g.typeAndOcc==c){var h=g.distance(this.pTemp);if(1.96E-6>h*h||1.96E-6>(1-h)*(1-h)&&this.latticeShift(this.pTemp,g))return d&&(a=Math.max(f,a),f!=a&&b.clear(a)),a}}return-1},"~N,JS.SymmetryOperation,~N,JU.BS,~B");
d(b,"latticeShift",function(a,c){return this.approx0(Math.abs(a.x-c.x)-1)||this.approx0(Math.abs(a.y-c.y)-1)||this.approx0(Math.abs(a.z-c.z)-1)},"JU.P3,JU.P3");b.main=d(b,"main",function(){JS.SpaceGroupFinder.loadData(null)&&System.out.println("OK")},"~A");b.loadData=d(b,"loadData",function(a){try{JS.SpaceGroupFinder.groupNames=JS.SpaceGroupFinder.getList(a,null,"sggroups_ordered.txt");JS.SpaceGroupFinder.GROUP_COUNT=JS.SpaceGroupFinder.groupNames.length;JS.SpaceGroupFinder.opXYZ=JS.SpaceGroupFinder.getList(a,
null,"sgops_ordered.txt");JS.SpaceGroupFinder.OP_COUNT=JS.SpaceGroupFinder.opXYZ.length;var c=JS.SpaceGroupFinder.getList(a,Array(JS.SpaceGroupFinder.OP_COUNT),"sgmap.txt");JS.SpaceGroupFinder.bsGroupOps=Array(JS.SpaceGroupFinder.GROUP_COUNT);JS.SpaceGroupFinder.bsOpGroups=Array(JS.SpaceGroupFinder.OP_COUNT);for(a=0;a<JS.SpaceGroupFinder.GROUP_COUNT;a++)JS.SpaceGroupFinder.bsGroupOps[a]=JU.BS.newN(JS.SpaceGroupFinder.OP_COUNT);for(var f=0;f<JS.SpaceGroupFinder.OP_COUNT;f++){var b=c[f],d=b.length;
JS.SpaceGroupFinder.bsOpGroups[f]=JU.BS.newN(JS.SpaceGroupFinder.GROUP_COUNT);for(a=0;a<d;a++)"1"==b.charAt(a)&&(JS.SpaceGroupFinder.bsGroupOps[a].set(f),JS.SpaceGroupFinder.bsOpGroups[f].set(a))}JS.SpaceGroupFinder.ops=Array(JS.SpaceGroupFinder.OP_COUNT);return!0}catch(g){if(ha(g,Exception))return g.printStackTrace(),!1;throw g;}finally{if(null!=JS.SpaceGroupFinder.rdr)try{JS.SpaceGroupFinder.rdr.close()}catch(h){if(!ha(h,"java.io.IOException"))throw h;}}},"JV.Viewer");b.getList=d(b,"getList",function(a,
c,f){JS.SpaceGroupFinder.rdr=JV.FileManager.getBufferedReaderForResource(a,JS.SpaceGroupFinder,"JS/","sg/"+f);if(null==c){for(c=new JU.Lst;null!=(a=JS.SpaceGroupFinder.rdr.readLine());)0<a.length&&c.addLast(a);c.toArray(c=Array(c.size()))}else for(a=0;a<c.length;a++)c[a]=JS.SpaceGroupFinder.rdr.readLine();JS.SpaceGroupFinder.rdr.close();return c},"JV.Viewer,~A,~S");b.$SpaceGroupFinder$SGAtom$=function(){var a=L(function(){Ka(this,arguments);this.index=this.typeAndOcc=0;this.name=null;Q(this,arguments)},
JS.SpaceGroupFinder,"SGAtom",JU.P3);Z(a,function(a,f,b,d){Ja(this,JS.SpaceGroupFinder.SGAtom,[]);this.typeAndOcc=a+1E3*d;this.index=f;this.name=b},"~N,~N,~S,~N")};b.$SpaceGroupFinder$1$=function(){var a=nb(JS,"SpaceGroupFinder$1",null,java.util.Comparator);m(a,"compare",function(a,f){return a.itaNo!=f.itaNo?a.itaNo-f.itaNo:f.setNo-a.setNo},"JS.SpaceGroup,JS.SpaceGroup")};b.GROUP_COUNT=0;b.OP_COUNT=0;b.bsOpGroups=null;b.bsGroupOps=null;b.groupNames=null;b.opXYZ=null;b.ops=null;b.rdr=null});V("JS");
da(["JU.M4"],"JS.HallInfo",["JU.P3i","$.SB","JS.SymmetryOperation","JU.Logger"],function(){var b=L(function(){this.primitiveHallSymbol=this.hallSymbol=null;this.latticeCode="\x00";this.latticeExtension=null;this.$isCentrosymmetric=!1;this.rotationTerms=null;this.nRotations=0;this.vectorCode=this.vector12ths=null;Q(this,arguments)},JS,"HallInfo",null);la(b,function(){this.rotationTerms=Array(16)});Z(b,function(a){this.init(a)},"~S");d(b,"getRotationCount",function(){return this.nRotations});d(b,"isGenerated",
function(){return 0<this.nRotations});d(b,"getLatticeCode",function(){return this.latticeCode});d(b,"isCentrosymmetric",function(){return this.$isCentrosymmetric});d(b,"getHallSymbol",function(){return this.hallSymbol});d(b,"init",function(a){try{var c=this.hallSymbol=a.trim(),c=this.extractLatticeInfo(c);if(0!=JS.HallInfo.HallTranslation.getLatticeIndex(this.latticeCode)){this.latticeExtension=JS.HallInfo.HallTranslation.getLatticeExtension(this.latticeCode,this.$isCentrosymmetric);c=this.extractVectorInfo(c)+
this.latticeExtension;JU.Logger.debugging&&JU.Logger.debug("Hallinfo: "+a+" "+c);a=0;var f="\x00";for(this.primitiveHallSymbol="P";0<c.length&&16>this.nRotations;){var c=this.extractRotationInfo(c,a,f),b=this.rotationTerms[this.nRotations-1];a=b.order;f=b.axisType;this.primitiveHallSymbol+=" "+b.primitiveCode}this.primitiveHallSymbol+=this.vectorCode}}catch(d){if(ha(d,Exception))JU.Logger.error("Invalid Hall symbol "+d),this.nRotations=0;else throw d;}},"~S");d(b,"dumpInfo",function(){var a=new JU.SB;
a.append("\nHall symbol: ").append(this.hallSymbol).append("\nprimitive Hall symbol: ").append(this.primitiveHallSymbol).append("\nlattice type: ").append(this.getLatticeDesignation());for(var c=0;c<this.nRotations;c++)a.append("\n\nrotation term ").appendI(c+1).append(this.rotationTerms[c].dumpInfo(this.vectorCode));return a.toString()});d(b,"getLatticeDesignation",function(){return JS.HallInfo.HallTranslation.getLatticeDesignation2(this.latticeCode,this.$isCentrosymmetric)});d(b,"extractLatticeInfo",
function(a){var c=a.indexOf(" ");if(0>c)return"";var f=a.substring(0,c).toUpperCase();this.latticeCode=f.charAt(0);"-"==this.latticeCode&&(this.$isCentrosymmetric=!0,this.latticeCode=f.charAt(1));return a.substring(c+1).trim()},"~S");d(b,"extractVectorInfo",function(a){this.vector12ths=new JU.P3i;this.vectorCode="";var c=a.indexOf("("),f=a.indexOf(")",c);0<c&&f>c&&(f=a.substring(c+1,f),this.vectorCode=" ("+f+")",a=a.substring(0,c).trim(),c=f.indexOf(" "),0<=c&&(this.vector12ths.x=Integer.parseInt(f.substring(0,
c)),f=f.substring(c+1).trim(),c=f.indexOf(" "),0<=c&&(this.vector12ths.y=Integer.parseInt(f.substring(0,c)),f=f.substring(c+1).trim())),this.vector12ths.z=Integer.parseInt(f));return a},"~S");d(b,"extractRotationInfo",function(a,c,f){var b=a.indexOf(" "),d;0<=b?(d=a.substring(0,b),a=a.substring(b+1).trim()):(d=a,a="");this.rotationTerms[this.nRotations]=new JS.HallInfo.HallRotationTerm(this,d,c,f);this.nRotations++;return a},"~S,~N,~S");m(b,"toString",function(){return this.hallSymbol});d(b,"generateAllOperators",
function(a){for(var c=new JU.M4,f=new JU.M4,b=Array(7),d=0;7>d;d++)b[d]=new JU.M4;for(var g=a.getMatrixOperationCount(),d=0;d<this.nRotations;d++){var h=this.rotationTerms[d];c.setM4(h.seitzMatrix12ths);h=h.order;b[0].setIdentity();for(var k=1;k<=h;k++){var l=b[k];l.mul2(c,b[0]);b[0].setM4(l);for(var j=0,q=0;q<g;q++)f.mul2(l,a.getMatrixOperation(q)),f.m03=(z(f.m03)+12)%12,f.m13=(z(f.m13)+12)%12,f.m23=(z(f.m23)+12)%12,a.addHallOperationCheckDuplicates(f)&&j++;g+=j}}},"JS.HallInfo.HallReceiver");b.getHallLatticeEquivalent=
d(b,"getHallLatticeEquivalent",function(a){var c=JS.HallInfo.HallTranslation.getLatticeCode(a);return(0<a?"-":"")+c+" 1"},"~N");b.getLatticeDesignation=d(b,"getLatticeDesignation",function(a){return JS.HallInfo.HallTranslation.getLatticeDesignation(a)},"~N");b.getLatticeIndex=d(b,"getLatticeIndex",function(a){return JS.HallInfo.HallTranslation.getLatticeIndex(a)},"~S");b.getLatticeIndexFromCode=d(b,"getLatticeIndexFromCode",function(a){return JS.HallInfo.getLatticeIndex(JS.HallInfo.HallTranslation.getLatticeCode(a))},
"~N");lb(JS.HallInfo,"HallReceiver");b=L(function(){this.seitzMatrixInv=this.seitzMatrix=this.rotCode=null;Q(this,arguments)},JS.HallInfo,"HallRotation",null);la(b,function(){this.seitzMatrix=new JU.M4;this.seitzMatrixInv=new JU.M4});Z(b,function(a,c){this.rotCode=a;var f=C(16,0),b=C(16,0);f[15]=b[15]=1;for(var d=0,g=0;11>g;d++){var h=0;switch(c.charAt(d).charCodeAt(0)){case 32:g++;continue;case 43:case 49:h=1;break;case 45:h=-1}f[g]=h;b[g]=-h;g++}this.seitzMatrix.setA(f);this.seitzMatrixInv.setA(b)},
"~S,~S");b.lookup=d(b,"lookup",function(a){for(var c=JS.HallInfo.HallRotation.getHallTerms().length;0<=--c;)if(JS.HallInfo.HallRotation.hallRotationTerms[c].rotCode.equals(a))return JS.HallInfo.HallRotation.hallRotationTerms[c];return null},"~S");b.getHallTerms=d(b,"getHallTerms",function(){return null==JS.HallInfo.HallRotation.hallRotationTerms?JS.HallInfo.HallRotation.hallRotationTerms=X(-1,[new JS.HallInfo.HallRotation("1_","+00 0+0 00+"),new JS.HallInfo.HallRotation("2x","+00 0-0 00-"),new JS.HallInfo.HallRotation("2y",
"-00 0+0 00-"),new JS.HallInfo.HallRotation("2z","-00 0-0 00+"),new JS.HallInfo.HallRotation("2'","0-0 -00 00-"),new JS.HallInfo.HallRotation('2"',"0+0 +00 00-"),new JS.HallInfo.HallRotation("2x'","-00 00- 0-0"),new JS.HallInfo.HallRotation('2x"',"-00 00+ 0+0"),new JS.HallInfo.HallRotation("2y'","00- 0-0 -00"),new JS.HallInfo.HallRotation('2y"',"00+ 0-0 +00"),new JS.HallInfo.HallRotation("2z'","0-0 -00 00-"),new JS.HallInfo.HallRotation('2z"',"0+0 +00 00-"),new JS.HallInfo.HallRotation("3x","+00 00- 0+-"),
new JS.HallInfo.HallRotation("3y","-0+ 0+0 -00"),new JS.HallInfo.HallRotation("3z","0-0 +-0 00+"),new JS.HallInfo.HallRotation("3*","00+ +00 0+0"),new JS.HallInfo.HallRotation("4x","+00 00- 0+0"),new JS.HallInfo.HallRotation("4y","00+ 0+0 -00"),new JS.HallInfo.HallRotation("4z","0-0 +00 00+"),new JS.HallInfo.HallRotation("6x","+00 0+- 0+0"),new JS.HallInfo.HallRotation("6y","00+ 0+0 -0+"),new JS.HallInfo.HallRotation("6z","+-0 +00 00+")]):JS.HallInfo.HallRotation.hallRotationTerms});b.hallRotationTerms=
null;b=L(function(){this.translationCode="\x00";this.rotationShift12ths=this.rotationOrder=0;this.vectorShift12ths=null;Q(this,arguments)},JS.HallInfo,"HallTranslation",null);Z(b,function(a,c){this.translationCode=a;if(null!=c){if(0<=c.z){this.vectorShift12ths=c;return}this.rotationOrder=c.x;this.rotationShift12ths=c.y}this.vectorShift12ths=new JU.P3i},"~S,JU.P3i");b.getLatticeIndex=d(b,"getLatticeIndex",function(a){for(var c=1,f=3;c<=JS.HallInfo.HallTranslation.nLatticeTypes;c++,f+=3)if(JS.HallInfo.HallTranslation.latticeTranslationData[f].charAt(0)==
a)return c;return 0},"~S");b.getLatticeCode=d(b,"getLatticeCode",function(a){0>a&&(a=-a);return 0==a?"\x00":a>JS.HallInfo.HallTranslation.nLatticeTypes?JS.HallInfo.HallTranslation.getLatticeCode(JS.HallInfo.HallTranslation.getLatticeIndex(String.fromCharCode(a))):JS.HallInfo.HallTranslation.latticeTranslationData[3*a].charAt(0)},"~N");b.getLatticeDesignation=d(b,"getLatticeDesignation",function(a){var c=0<a;0>a&&(a=-a);return 0==a||a>JS.HallInfo.HallTranslation.nLatticeTypes?"":(c?"-":"")+JS.HallInfo.HallTranslation.getLatticeCode(a)+
": "+(c?"centrosymmetric ":"")+JS.HallInfo.HallTranslation.latticeTranslationData[3*a+1]},"~N");b.getLatticeDesignation2=d(b,"getLatticeDesignation2",function(a,c){var f=JS.HallInfo.HallTranslation.getLatticeIndex(a);c||(f=-f);return JS.HallInfo.HallTranslation.getLatticeDesignation(f)},"~S,~B");b.getLatticeExtension=d(b,"getLatticeExtension",function(a,c){for(var f=1,b=3;f<=JS.HallInfo.HallTranslation.nLatticeTypes;f++,b+=3)if(JS.HallInfo.HallTranslation.latticeTranslationData[b].charAt(0)==a)return JS.HallInfo.HallTranslation.latticeTranslationData[b+
2]+(c?" -1":"");return""},"~S,~B");b.getHallTerms=d(b,"getHallTerms",function(){return null==JS.HallInfo.HallTranslation.hallTranslationTerms?JS.HallInfo.HallTranslation.hallTranslationTerms=X(-1,[new JS.HallInfo.HallTranslation("a",JU.P3i.new3(6,0,0)),new JS.HallInfo.HallTranslation("b",JU.P3i.new3(0,6,0)),new JS.HallInfo.HallTranslation("c",JU.P3i.new3(0,0,6)),new JS.HallInfo.HallTranslation("n",JU.P3i.new3(6,6,6)),new JS.HallInfo.HallTranslation("u",JU.P3i.new3(3,0,0)),new JS.HallInfo.HallTranslation("v",
JU.P3i.new3(0,3,0)),new JS.HallInfo.HallTranslation("w",JU.P3i.new3(0,0,3)),new JS.HallInfo.HallTranslation("d",JU.P3i.new3(3,3,3)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(2,6,-1)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(3,4,-1)),new JS.HallInfo.HallTranslation("2",JU.P3i.new3(3,8,-1)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(4,3,-1)),new JS.HallInfo.HallTranslation("3",JU.P3i.new3(4,9,-1)),new JS.HallInfo.HallTranslation("1",JU.P3i.new3(6,2,-1)),new JS.HallInfo.HallTranslation("2",
JU.P3i.new3(6,4,-1)),new JS.HallInfo.HallTranslation("4",JU.P3i.new3(6,8,-1)),new JS.HallInfo.HallTranslation("5",JU.P3i.new3(6,10,-1)),new JS.HallInfo.HallTranslation("r",JU.P3i.new3(4,8,8)),new JS.HallInfo.HallTranslation("s",JU.P3i.new3(8,8,4)),new JS.HallInfo.HallTranslation("t",JU.P3i.new3(8,4,8))]):JS.HallInfo.HallTranslation.hallTranslationTerms});b.getHallTranslation=d(b,"getHallTranslation",function(a,c){for(var f=null,b=JS.HallInfo.HallTranslation.getHallTerms().length;0<=--b;){var d=JS.HallInfo.HallTranslation.hallTranslationTerms[b];
if(d.translationCode==a&&(0==d.rotationOrder||d.rotationOrder==c)){f=new JS.HallInfo.HallTranslation(a,null);f.translationCode=a;f.rotationShift12ths=d.rotationShift12ths;f.vectorShift12ths=d.vectorShift12ths;break}}return f},"~S,~N");b.latticeTranslationData=X(-1,"\x00;unknown;;P;primitive;;I;body-centered; 1n;R;rhombohedral; 1r 1r;F;face-centered; 1ab 1bc 1ac;A;A-centered; 1bc;B;B-centered; 1ac;C;C-centered; 1ab;S;rhombohedral(S); 1s 1s;T;rhombohedral(T); 1t 1t".split(";"));b.nLatticeTypes=F(JS.HallInfo.HallTranslation.latticeTranslationData.length/
3)-1;b.hallTranslationTerms=null;b=L(function(){this.seitzMatrix12ths=this.primitiveCode=null;this.order=0;this.axisType="\x00";this.translation=this.rotation=this.translationString=this.lookupCode=this.inputCode=null;this.isImproper=!1;this.diagonalReferenceAxis="\x00";this.allPositive=!0;Q(this,arguments)},JS.HallInfo,"HallRotationTerm",null);la(b,function(){this.seitzMatrix12ths=new JU.M4});Z(b,function(a,c,f,b){this.inputCode=c;c+="   ";"-"==c.charAt(0)&&(this.isImproper=!0,c=c.substring(1));
this.primitiveCode="";this.order=c.charAt(0).charCodeAt(0)-48;this.axisType=this.diagonalReferenceAxis="\x00";var d=2,g;switch((g=c.charAt(1)).charCodeAt(0)){case 120:case 121:case 122:switch(c.charAt(2).charCodeAt(0)){case 39:case 34:this.diagonalReferenceAxis=g,g=c.charAt(2),d++}case 42:this.axisType=g;break;case 39:case 34:this.axisType=g;switch(c.charAt(2).charCodeAt(0)){case 120:case 121:case 122:this.diagonalReferenceAxis=c.charAt(2);d++;break;default:this.diagonalReferenceAxis=b}break;default:this.axisType=
1==this.order?"_":0==a.nRotations?"z":2==a.nRotations?"*":2==f||4==f?"x":"'",c=c.substring(0,1)+this.axisType+c.substring(1)}this.primitiveCode+="_"==this.axisType?"1":c.substring(0,2);"\x00"!=this.diagonalReferenceAxis&&(c=c.substring(0,1)+this.diagonalReferenceAxis+this.axisType+c.substring(d),this.primitiveCode+=this.diagonalReferenceAxis,d=3);this.lookupCode=c.substring(0,d);this.rotation=JS.HallInfo.HallRotation.lookup(this.lookupCode);if(null==this.rotation)JU.Logger.error("Rotation lookup could not find "+
this.inputCode+" ? "+this.lookupCode);else{this.translation=new JS.HallInfo.HallTranslation("\x00",null);this.translationString="";for(f=c.length;d<f;d++)b=c.charAt(d),b=JS.HallInfo.HallTranslation.getHallTranslation(b,this.order),null!=b&&(this.translationString+=""+b.translationCode,this.translation.rotationShift12ths+=b.rotationShift12ths,this.translation.vectorShift12ths.add(b.vectorShift12ths));this.primitiveCode=(this.isImproper?"-":"")+this.primitiveCode+this.translationString;this.seitzMatrix12ths.setM4(this.isImproper?
this.rotation.seitzMatrixInv:this.rotation.seitzMatrix);this.seitzMatrix12ths.m03=this.translation.vectorShift12ths.x;this.seitzMatrix12ths.m13=this.translation.vectorShift12ths.y;this.seitzMatrix12ths.m23=this.translation.vectorShift12ths.z;switch(this.axisType.charCodeAt(0)){case 120:this.seitzMatrix12ths.m03+=this.translation.rotationShift12ths;break;case 121:this.seitzMatrix12ths.m13+=this.translation.rotationShift12ths;break;case 122:this.seitzMatrix12ths.m23+=this.translation.rotationShift12ths}0<
a.vectorCode.length&&(d=JU.M4.newM4(null),f=JU.M4.newM4(null),a=a.vector12ths,d.m03=a.x,d.m13=a.y,d.m23=a.z,f.m03=-a.x,f.m13=-a.y,f.m23=-a.z,this.seitzMatrix12ths.mul2(d,this.seitzMatrix12ths),this.seitzMatrix12ths.mul(f));JU.Logger.debugging&&JU.Logger.debug("code = "+c+"; primitive code ="+this.primitiveCode+"\n Seitz Matrix(12ths):"+this.seitzMatrix12ths)}},"JS.HallInfo,~S,~N,~S");d(b,"dumpInfo",function(a){var c=new JU.SB;c.append("\ninput code: ").append(this.inputCode).append("; primitive code: ").append(this.primitiveCode).append("\norder: ").appendI(this.order).append(this.isImproper?
" (improper axis)":"");"_"!=this.axisType&&(c.append("; axisType: ").appendC(this.axisType),"\x00"!=this.diagonalReferenceAxis&&c.appendC(this.diagonalReferenceAxis));0<this.translationString.length&&c.append("; translation: ").append(this.translationString);0<a.length&&c.append("; vector offset: ").append(a);null!=this.rotation&&c.append("\noperator: ").append(this.getXYZ(this.allPositive)).append("\nSeitz matrix:\n").append(JS.SymmetryOperation.dumpSeitz(this.seitzMatrix12ths,!1));return c.toString()},
"~S");d(b,"getXYZ",function(a){return JS.SymmetryOperation.getXYZFromMatrix(this.seitzMatrix12ths,!0,a,!0)},"~B")});V("JS");da(["JU.M4","$.P3"],"JS.SymmetryOperation","java.util.Hashtable JU.Lst $.Matrix $.Measure $.P4 $.PT $.SB $.V3 JU.BoxInfo $.Logger $.Parser".split(" "),function(){var b=L(function(){this.xyz=this.xyzCanonical=this.xyzOriginal=null;this.doNormalize=!0;this.isFinalized=!1;this.opId=0;this.info=this.centering=null;this.opType=-1;this.opOrder=0;this.suvwkey=this.suvw=this.spinU=this.opIsCCW=
this.opPlane=this.opAxis=this.opPoint2=this.opPoint=this.opGlide=this.opTrans=null;this.spinIndex=-1;this.opPerDim=0;this.isIrrelevant=!1;this.iCoincident=0;this.myLabels=null;this.modDim=0;this.rsvs=this.linearRotTrans=null;this.isBio=!1;this.sigma=null;this.number=0;this.subsystemCode=null;this.timeReversal=0;this.isCenteringOp=this.unCentered=!1;this.magOp=2147483647;this.divisor=12;this.opAxisCode=this.opX=null;this.opIsLong=!1;Q(this,arguments)},JS,"SymmetryOperation",JU.M4);Z(b,function(a,c,
b){Ja(this,JS.SymmetryOperation,[]);this.doNormalize=b;null==a?this.opId=c:(this.xyzOriginal=a.xyzOriginal,this.xyz=a.xyz,this.divisor=a.divisor,this.opId=a.opId,this.modDim=a.modDim,this.myLabels=a.myLabels,this.number=a.number,this.linearRotTrans=a.linearRotTrans,this.sigma=a.sigma,this.subsystemCode=a.subsystemCode,this.timeReversal=a.timeReversal,this.spinU=a.spinU,this.spinIndex=a.spinIndex,this.suvw=a.suvw,this.setMatrix(!1),this.doFinalize())},"JS.SymmetryOperation,~N,~B");d(b,"getOpDesc",
function(){-1==this.opType&&this.setOpTypeAndOrder();switch(this.opType){case 0:return"I";case 1:return"Trans";case 2:return"Rot"+this.opOrder;case 4:return"Inv";case 8:return"Plane";case 3:return"Screw"+this.opOrder;case 6:return"Nbar"+this.opOrder;case 9:return"Glide"}return null});d(b,"getOpName",function(a){-1==this.opType&&this.setOpTypeAndOrder();switch(this.opType){case 0:return"I";case 1:return"Trans"+JS.SymmetryOperation.op48(this.opTrans);case 2:return"Rot"+this.opOrder+JS.SymmetryOperation.op48(this.opPoint)+
JS.SymmetryOperation.op48(this.opAxis)+this.opIsCCW;case 4:return"Inv"+JS.SymmetryOperation.op48(this.opPoint);case 8:return(0==a?"":"Plane")+this.opRound(this.opPlane);case 3:return 0==a?"S"+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis):"Screw"+this.opOrder+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis)+JS.SymmetryOperation.op48(this.opTrans)+this.opIsCCW;case 6:return"Nbar"+this.opOrder+JS.SymmetryOperation.op48(this.opPoint)+JS.SymmetryOperation.op48(this.opAxis)+
this.opIsCCW;case 9:return(0==a?"":"Glide")+this.opRound(this.opPlane)+(2==a?JS.SymmetryOperation.op48(this.opTrans):"")}System.out.println("SymmetryOperation REJECTED TYPE FOR "+this);return""},"~N");d(b,"opRound",function(a){return Math.round(1E3*a.x)+","+Math.round(1E3*a.y)+","+Math.round(1E3*a.z)+","+Math.round(1E3*a.w)},"JU.P4");d(b,"getOpTitle",function(){-1==this.opType&&this.setOpTypeAndOrder();switch(this.opType){case 0:return"identity ";case 1:return"translation "+JS.SymmetryOperation.opFrac(this.opTrans);
case 2:return"rotation "+this.opOrder;case 4:return"inversion center "+JS.SymmetryOperation.opFrac(this.opPoint);case 8:return"reflection ";case 3:return"screw rotation "+this.opOrder+(null==this.opIsCCW?"":this.opIsCCW===Boolean.TRUE?"(+) ":"(-) ")+JS.SymmetryOperation.opFrac(this.opTrans);case 6:return this.opOrder+"-bar "+(null==this.opIsCCW?"":this.opIsCCW===Boolean.TRUE?"(+) ":"(-) ")+JS.SymmetryOperation.opFrac(this.opPoint);case 9:return"glide reflection "+JS.SymmetryOperation.opFrac(this.opTrans)}return""});
b.opFrac=d(b,"opFrac",function(a){return"{"+JS.SymmetryOperation.opF(a.x)+" "+JS.SymmetryOperation.opF(a.y)+" "+JS.SymmetryOperation.opF(a.z)+"}"},"JU.T3");b.opF=d(b,"opF",function(a){if(0==a)return"0";var c=0>a;c&&(a=-a);var b=0;1<=a&&(b=z(a),a-=b);var e=Math.round(48*a);if(0!=JU.PT.approx(e/48-a,1E3))return""+JU.PT.approx(a,1E3);a=0==e%48?1:0==e%24?2:0==e%16?3:0==e%12?4:0==e%8?6:0==e%6?8:0==e%4?12:0==e%3?16:0==e%2?24:48;return(c?"-":"")+(b*a+F(e*a/48))+(1==a?"":"/"+a)},"~N");b.op48=d(b,"op48",function(a){return null==
a?(System.err.println("SymmetryOperation.op48 null"),"(null)"):"{"+Math.round(48*a.x)+" "+Math.round(48*a.y)+" "+Math.round(48*a.z)+"}"},"JU.T3");d(b,"setSigma",function(a,c){this.subsystemCode=a;this.sigma=c},"~S,JU.Matrix");d(b,"setGamma",function(a){for(var c=3+this.modDim,b=(this.rsvs=new JU.Matrix(null,c+1,c+1)).getArray(),e=La(c,0),d=0,g=0;g<c;g++){for(var h=0;h<c;h++)b[g][h]=this.linearRotTrans[d++];e[g]=(a?-1:1)*this.linearRotTrans[d++]}b[c][c]=1;a&&(this.rsvs=this.rsvs.inverse());for(g=0;g<
c;g++)b[g][c]=e[g];b=this.rsvs.getSubmatrix(0,0,3,3).getArray();for(g=0;3>g;g++)for(h=0;4>h;h++)this.setElement(g,h,3>h?b[g][h]:e[g]);this.setElement(3,3,1)},"~B");d(b,"doFinalize",function(){if(!this.isFinalized){JS.SymmetryOperation.div12(this,this.divisor);if(0<this.modDim)for(var a=this.rsvs.getArray(),c=a.length-1;0<=--c;)a[c][3+this.modDim]=JS.SymmetryOperation.finalizeD(a[c][3+this.modDim],this.divisor);this.isFinalized=!0}});b.div12=d(b,"div12",function(a,c){a.m03=JS.SymmetryOperation.finalizeF(a.m03,
c);a.m13=JS.SymmetryOperation.finalizeF(a.m13,c);a.m23=JS.SymmetryOperation.finalizeF(a.m23,c);return a},"JU.M4,~N");b.finalizeF=d(b,"finalizeF",function(a,c){if(0==c){if(0==a)return 0;var b=z(a);return 1*(b>>8)/(b&255)}return a/c},"~N,~N");b.finalizeD=d(b,"finalizeD",function(a,c){if(0==c){if(0==a)return 0;var b=F(a);return 1*(b>>8)/(b&255)}return a/c},"~N,~N");d(b,"getXyz",function(a){return a&&0==this.modDim||null==this.xyzOriginal?this.xyz:this.xyzOriginal},"~B");d(b,"getxyzTrans",function(a){var c=
JU.M4.newM4(this);c.add(a);return JS.SymmetryOperation.getXYZFromMatrix(c,!1,!1,!1)},"JU.T3");d(b,"dumpInfo",function(){return"\n"+this.xyz+"\ninternal matrix representation:\n"+this.toString()});b.dumpSeitz=d(b,"dumpSeitz",function(a,c){for(var b=new JU.SB,e=C(4,0),d=0;3>d;d++){a.getRow(d,e);b.append("[\t");for(var g=0;3>g;g++)b.appendI(z(e[g])).append("\t");g=e[3];0==g?b.append("0"):(g*=g==z(g)?4:48,b.append(JS.SymmetryOperation.twelfthsOf(c?JS.SymmetryOperation.normalizeTwelfths(g/48,48,!0):z(g))));
b.append("\t]\n")}return b.toString()},"JU.M4,~B");d(b,"setMatrixFromXYZ",function(a,c,b){if(null==a)return!1;this.xyzOriginal=a;this.divisor=JS.SymmetryOperation.setDivisor(a);a=a.toLowerCase();this.setModDim(c);var e=!1,d=!0;a.startsWith("!")&&(a.startsWith("!nohalf!")?(d=!1,this.xyzOriginal=a=a.substring(8)):(e=!1,a=a.substring(1)));if(0==a.indexOf("xyz matrix:"))return this.xyz=a,JU.Parser.parseStringInfestedFloatArray(a,null,this.linearRotTrans),this.setFromMatrix(null,e);if(0==a.indexOf("[[")){a=
a.$replace("["," ").$replace("]"," ").$replace(","," ");JU.Parser.parseStringInfestedFloatArray(a,null,this.linearRotTrans);for(c=this.linearRotTrans.length;0<=--c;)if(Float.isNaN(this.linearRotTrans[c]))return!1;this.setMatrix(e);this.isFinalized=!0;this.xyz=(this.isBio=0<=a.indexOf("bio"))?this.xyzOriginal=Ea(this,JS.SymmetryOperation,"toString",[]):JS.SymmetryOperation.getXYZFromMatrix(this,!1,!1,!1);return!0}if(0==c&&0<=a.indexOf("x4"))for(c=14;4<=--c;)if(0<=a.indexOf("x"+c)){this.setModDim(c-
3);break}c=null;if(a.endsWith("m"))this.timeReversal=0<=a.indexOf("-m")?-1:1,b=!0;else if(0<=a.indexOf("mz)"))b=a.indexOf("("),c=a.substring(b+1,a.length-1),a=a.substring(0,b),b=!1;else if(0<=a.indexOf("u")){var g=a.endsWith("+");b=a.indexOf("(");var h=a.substring(b+1,a.length-(g?2:1));a=a.substring(0,b);if(0>h.indexOf(","))this.suvwkey=h;else if(this.setSpin(h),g&&0>this.timeReversal)return!1;b=!0}d=JS.SymmetryOperation.getRotTransArrayAndXYZ(this,a,this.linearRotTrans,b,d,!0,null);if(null==d)return!1;
this.xyzCanonical=d;null!=c&&(b=1==JU.M4.newA16(this.linearRotTrans).determinant3(),this.timeReversal=0>a.indexOf("-x")==0>c.indexOf("-mx")==b?1:-1);this.setMatrix(e);this.xyz=e?JS.SymmetryOperation.getXYZFromMatrix(this,!0,!1,!1):this.doNormalize?d:a;null==this.spinU&&0!=this.timeReversal&&(this.xyz+=1==this.timeReversal?",m":",-m");JU.Logger.debugging&&(JU.Logger.debug(""+this),null!=this.spinU&&JU.Logger.debug(""+this.spinU.toString().$replace("\n"," ")));return!0},"~S,~N,~B");d(b,"setSpin",function(a){this.suvw=
a;var c=C(16,0);JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,c,!0,!1,!1,"uvw");this.spinU=JU.M4.newA16(c);this.timeReversal=z(this.spinU.determinant3());this.suvwkey=null},"~S");b.setDivisor=d(b,"setDivisor",function(a){for(var c=a.indexOf("/"),b=a.length;0<c&&c<b-1;){var e=a.charAt(c+1);if(0>"2346".indexOf(e)||c<b-2&&Character.isDigit(a.charAt(c+2)))return 0;c=a.indexOf("/",c+1)}return 12},"~S");d(b,"setModDim",function(a){this.modDim=a;0<a&&(this.myLabels=JS.SymmetryOperation.labelsXn);this.linearRotTrans=
C((a+4)*(a+4),0)},"~N");d(b,"setMatrix",function(a){16<this.linearRotTrans.length?this.setGamma(a):(this.setA(this.linearRotTrans),a&&(a=JU.P3.new3(this.m03,this.m13,this.m23),this.invert(),this.rotate(a),a.scale(-1),this.setTranslation(a)))},"~B");d(b,"setFromMatrix",function(a,c){var b=0,e=0;this.myLabels=0==this.modDim?JS.SymmetryOperation.labelsXYZ:JS.SymmetryOperation.labelsXn;for(var d=0,g=3+this.modDim,h=0;d<g;h++){if(Float.isNaN(this.linearRotTrans[h]))return!1;b=this.linearRotTrans[h];1E-5>
Math.abs(b)&&(b=0);if(0==(h+1)%(g+1)){var k=0==this.divisor?z(b)&255:this.divisor;0==k&&(k=12);b=JS.SymmetryOperation.finalizeF(b,this.divisor);null!=a&&e<a.length&&(b+=a[e++]);b=JS.SymmetryOperation.normalizeTwelfths((0>b?-1:1)*Math.abs(b*k)/k,k,this.doNormalize);0==this.divisor&&(b=JS.SymmetryOperation.toDivisor(b,k));d++}this.linearRotTrans[h]=b}this.linearRotTrans[this.linearRotTrans.length-1]=this.divisor;this.setMatrix(c);this.isFinalized=null==a;this.xyz=JS.SymmetryOperation.getXYZFromMatrix(this,
!0,!1,!1);return!0},"~A,~B");b.getMatrixFromXYZ=d(b,"getMatrixFromXYZ",function(a,c,b){return JS.SymmetryOperation.getMatrixFromXYZScaled(a,c,b)},"~S,~A,~B");b.getMatrixFromXYZScaled=d(b,"getMatrixFromXYZScaled",function(a,c,b){null==c&&(c=C(16,0));a=JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,c,!1,b,!0,null);if(null==a)return null;b=new JU.M4;b.setA(c);return JS.SymmetryOperation.div12(b,JS.SymmetryOperation.setDivisor(a))},"~S,~A,~B");b.getJmolCanonicalXYZ=d(b,"getJmolCanonicalXYZ",function(a){try{return JS.SymmetryOperation.getRotTransArrayAndXYZ(null,
a,null,!1,!0,!0,null)}catch(c){if(ha(c,Exception))return null;throw c;}},"~S");b.getRotTransArrayAndXYZ=d(b,"getRotTransArrayAndXYZ",function(a,c,b,e,d,g,h){var k=!1,l=!1,j=!1;c=JU.PT.rep(c,"[bio[","");var q=null==a?0:a.modDim,n=4+q,p=null==a?JS.SymmetryOperation.setDivisor(c):a.divisor,m=d&&(null==a?!c.startsWith("!"):a.doNormalize),s=0<q?3:0;if(null!=b){for(var r=b.length-1,t=r;0<=--t;)b[t]=0;b[r]=1}r=c.indexOf(";")+1;0!=r&&(e=!0,r==c.length&&(c+="0,0,0"));var v=-1;a=JS.SymmetryOperation.getLabels(h,
null==a||0==q?null:a.myLabels);c=c.toLowerCase()+",";c=c.$replace("(",",");0<q&&(c=JS.SymmetryOperation.replaceXn(c,q+3));for(var A=h=0,x=0,D,w=0,C=0,y=0,H=0,I=1,G="",F=g?"":null,$=O(1,0),P=c.length,E=-1,t=0;t<P;t++){switch((D=c.charAt(t)).charCodeAt(0)){case 59:break;case 39:case 32:case 123:case 125:case 33:continue;case 45:case 43:j="-"==D;E=t;H=w;w=0;continue;case 47:C=0;k=!0;continue;case 120:case 121:case 122:case 117:case 118:case 119:case 97:case 98:case 99:case 100:case 101:case 102:case 103:case 104:A=
x*n;k="x"<=D?D.charCodeAt(0)-120:"u"<=D?D.charCodeAt(0)-117:D.charCodeAt(0)-97+s;h=A+k;j=j?-1:1;if(e&&0!=w&&E!=t-1){null!=b&&(b[h]=w);if(w!=z(w)){null!=F&&(G+=JS.SymmetryOperation.plusMinus(G,w,a[k],!1,!1));w=0;break}j=z(w);w=0}else null!=b&&(b[h]=j);null!=F&&(G+=JS.SymmetryOperation.plusMinus(G,j,a[k],!1,!1));break;case 44:if(0!=r){if(0<r){v=t;t=r-1;r=-t;C=w=H=0;continue}r=t+1;t=v}else 0!=H&&(w=H);w=JS.SymmetryOperation.normalizeTwelfths(w,0==C?12:0==p?C:p,m);null!=b&&(b[A+n-1]=0==p&&0<C?w=JS.SymmetryOperation.toDivisor(y,
C):w);null!=F&&(G+=JS.SymmetryOperation.xyzFraction12(w,0==p?C:p,!1,d),F+=(""===F?"":",")+G);if(x==n-2)return g?F:"ok";C=y=w=H=0;G="";A+=4;if(2<x++&&0==q)return JU.Logger.warn("Symmetry Operation? "+c),null;break;case 46:l=!0;I=1;continue;case 48:if(!l&&12==p&&(k||!e))continue;default:var R=D.charCodeAt(0)-48;if(0<=R&&9>=R){if(l){I/=10;0>w&&(j=!0);w+=I*R*(j?-1:1);continue}else if(j&&"0"==D)continue;if(k){$[0]=t;C=JU.PT.parseIntNext(c,$);if(0>C)return null;t=$[0]-1;0==w?null!=b&&(b[h]/=C):(y=z(w),
w/=C)}else w=10*w+(j?-1:1)*R}else JU.Logger.warn("symmetry character?"+D)}l=k=j=!1}return null},"JS.SymmetryOperation,~S,~A,~B,~B,~B,~S");b.replaceXn=d(b,"replaceXn",function(a,c){for(var b=c;0<=--b;)a=JU.PT.rep(a,JS.SymmetryOperation.labelsXn[b],JS.SymmetryOperation.labelsXnSub[b]);return a},"~S,~N");b.toDivisor=d(b,"toDivisor",function(a,c){var b=z(a);b!=a&&(b=a-b,c=z(Math.abs(c/b)),b=z(Math.abs(a)/b));return(b<<8)+c},"~N,~N");b.xyzFraction12=d(b,"xyzFraction12",function(a,c,b,e){if(0==a)return"";
12!=c&&(a=z(a),c=a&255,a>>=8);var d=F(c/2);if(b)for(;0>a;)a+=c;else if(e){for(;a>d;)a-=c;for(;a<-d;)a+=c}c=12==c?JS.SymmetryOperation.twelfthsOf(a):0==a?"0":a+"/"+c;return"0"==c.charAt(0)?"":0<a?"+"+c:c},"~N,~N,~B,~B");b.twelfthsOf=d(b,"twelfthsOf",function(a){var c="";0>a&&(a=-a,c="-");var b=12,e=Math.round(a);if(0.01<Math.abs(e-a)){a/=12;for(b=3;20>b;b++){var d=a*b,e=Math.round(d);if(0.01>Math.abs(e-d))break}if(20==b)return c+a}else{if(12==e)return c+"1";if(12>e)return c+JS.SymmetryOperation.twelfths[e%
12];switch(e%12){case 0:return c+F(e/12);case 2:case 10:b=6;break;case 3:case 9:b=4;break;case 4:case 8:b=3;break;case 6:b=2}e=F(e*b/12)}return c+e+"/"+b},"~N");b.plusMinus=d(b,"plusMinus",function(a,c,b,e,d){var g=Math.abs(c);if(1E-4>g)return"";e=0.9999<g&&1.0001>=g?"":0.001>=g%1&&!e?""+z(g):d?""+g:JS.SymmetryOperation.twelfthsOf(12*g);return(0>c?"-":0==a.length?"":"+")+(e.equals("1")?"":e)+b},"~S,~N,~S,~B,~B");b.normalizeTwelfths=d(b,"normalizeTwelfths",function(a,c,b){a*=c;var e=F(c/2);if(b){for(;a>
e;)a-=c;for(;a<=-e;)a+=c}return a},"~N,~N,~B");b.getXYZFromMatrix=d(b,"getXYZFromMatrix",function(a,c,b,e){return JS.SymmetryOperation.getXYZFromMatrixFrac(a,c,b,e,!1,!1,null)},"JU.M4,~B,~B,~B");b.getXYZFromMatrixFrac=d(b,"getXYZFromMatrixFrac",function(a,c,b,e,d,g,h){var k="",l=I(a,"JS.SymmetryOperation")?a:null;if(null!=l&&0<l.modDim)return JS.SymmetryOperation.getXYZFromRsVs(l.rsvs.getRotation(),l.rsvs.getTranslation(),c);var l=C(4,0),j=z(a.getElement(3,3));1==j?j=12:a.setElement(3,3,1);h=JS.SymmetryOperation.getLabels(h,
JS.SymmetryOperation.labelsXYZ);for(var q=0;3>q;q++){var n=3>q?0:3;a.getRow(q,l);for(var p="",m=0;3>m;m++){var s=l[m];0!=JS.SymmetryOperation.approx(s)&&(p+=JS.SymmetryOperation.plusMinus(p,s,h[m+n],d,g))}if(0!=(c?l[3]:JS.SymmetryOperation.approx(l[3])))n=g?JS.SymmetryOperation.plusMinus(p,l[3],"",!0,!0):JS.SymmetryOperation.xyzFraction12(c?l[3]:l[3]*j,j,b,e),""===p&&(n="+"==n.charAt(0)?n.substring(1):n),p+=n;k+=","+(""===p?"0":p)}return k.substring(1)},"JU.M4,~B,~B,~B,~B,~B,~S");b.getLabels=d(b,
"getLabels",function(a,c){if(null!=a)switch(a){case "abc":return JS.SymmetryOperation.labelsABC;case "uvw":return JS.SymmetryOperation.labelsUVW;case "mxyz":return JS.SymmetryOperation.labelsMXYZ}return null==c?JS.SymmetryOperation.labelsXYZ:c},"~S,~A");d(b,"rotateAxes",function(a,c,b,e){var d=Array(3);this.getRotationScale(e);for(var g=a.length;0<=--g;)b.setT(a[g]),c.toFractional(b,!0),e.rotate(b),c.toCartesian(b,!0),d[g]=JU.V3.newV(b);return d},"~A,JS.UnitCell,JU.P3,JU.M3");b.fcoord=d(b,"fcoord",
function(a,c){return JS.SymmetryOperation.opF(a.x)+c+JS.SymmetryOperation.opF(a.y)+c+JS.SymmetryOperation.opF(a.z)},"JU.T3,~S");b.approx=d(b,"approx",function(a){return JU.PT.approx(a,100)},"~N");b.approx6=d(b,"approx6",function(a){return JU.PT.approx(a,1E6)},"~N");b.getXYZFromRsVs=d(b,"getXYZFromRsVs",function(a,c,b){a=a.getArray();c=c.getArray();for(var e=a.length,d="",g=0;g<e;g++){for(var d=d+",",h=0;h<e;h++){var k=a[g][h];0!=k&&(d+=(0>k?"-":d.endsWith(",")?"":"+")+(1==Math.abs(k)?"":""+Math.abs(k))+
"x"+(h+1))}d+=JS.SymmetryOperation.xyzFraction12(F(c[g][0]*(b?1:12)),12,!1,!0)}return JU.PT.rep(d.substring(1),",+",",")},"JU.Matrix,JU.Matrix,~B");d(b,"getMagneticOp",function(){return 2147483647==this.magOp?this.magOp=z(null!=this.spinU?1:this.determinant3()*this.timeReversal):this.magOp});d(b,"setTimeReversal",function(a){this.timeReversal=a;0<=this.xyz.indexOf("m")&&(this.xyz=this.xyz.substring(0,this.xyz.indexOf("m")));0!=a&&(this.xyz+=1==a?",m":",-m")},"~N");d(b,"getCentering",function(){this.doFinalize();
null==this.centering&&!this.unCentered&&(0==this.modDim&&JS.SymmetryOperation.isTranslation(this)?(this.isCenteringOp=!0,this.centering=JU.V3.new3(this.m03,this.m13,this.m23)):(this.unCentered=!0,this.centering=null));return this.centering});b.isTranslation=d(b,"isTranslation",function(a){return 1==a.m00&&0==a.m01&&0==a.m02&&0==a.m10&&1==a.m11&&0==a.m12&&0==a.m20&&0==a.m21&&1==a.m22&&(0!=a.m03||0!=a.m13||0!=a.m23)},"JU.M4");d(b,"fixMagneticXYZ",function(a,c){if(null!=this.spinU)return c+JS.SymmetryOperation.getSpinString(this.spinU,
!0);if(0==this.timeReversal)return c;var b=c.indexOf("m"),b=b-F((3-this.timeReversal)/2);c=0>b?c:c.substring(0,b);b=JU.M4.newM4(a);b.m03=b.m13=b.m23=0;0>this.getMagneticOp()&&b.scale(-1);return c+JS.SymmetryOperation.getSpinString(b,!1)},"JU.M4,~S");b.getSpinString=d(b,"getSpinString",function(a,c){return"("+JS.SymmetryOperation.getXYZFromMatrixFrac(a,!1,!1,!1,c,c,c?"uvw":"mxyz")+")"},"JU.M4,~B");d(b,"getInfo",function(){null==this.info&&(this.info=new java.util.Hashtable,this.info.put("xyz",this.xyz),
null!=this.centering&&this.info.put("centering",this.centering),this.info.put("index",Integer.$valueOf(this.number-1)),this.info.put("isCenteringOp",Boolean.$valueOf(this.isCenteringOp)),null!=this.linearRotTrans&&this.info.put("linearRotTrans",this.linearRotTrans),this.info.put("modulationDimension",Integer.$valueOf(this.modDim)),this.info.put("matrix",JU.M4.newM4(this)),null==this.spinU&&3.4028235E38!=this.magOp&&this.info.put("magOp",Float.$valueOf(this.magOp)),this.info.put("id",Integer.$valueOf(this.opId)),
0!=this.timeReversal&&this.info.put("timeReversal",Integer.$valueOf(this.timeReversal)),null!=this.spinU&&this.info.put("spinU",this.spinU),null!=this.xyzOriginal&&this.info.put("xyzOriginal",this.xyzOriginal));return this.info});b.normalizeOperationToCentroid=d(b,"normalizeOperationToCentroid",function(a,c,b,e,d){if(!(0>=d)){var g=0,h=0,k=0;null==JS.SymmetryOperation.atomTest&&(JS.SymmetryOperation.atomTest=new JU.P3);for(var l=e+d;e<l;e++)c.rotTrans2(b[e],JS.SymmetryOperation.atomTest),g+=JS.SymmetryOperation.atomTest.x,
h+=JS.SymmetryOperation.atomTest.y,k+=JS.SymmetryOperation.atomTest.z;g/=d;h/=d;for(k/=d;-0.001>g||1.001<=g;)c.m03+=0>g?1:-1,g+=0>g?1:-1;if(1<a)for(;-0.001>h||1.001<=h;)c.m13+=0>h?1:-1,h+=0>h?1:-1;if(2<a)for(;-0.001>k||1.001<=k;)c.m23+=0>k?1:-1,k+=0>k?1:-1}},"~N,JU.M4,~A,~N,~N");b.getLatticeCentering=d(b,"getLatticeCentering",function(a){for(var c=new JU.Lst,b=0;b<a.length;b++){var e=null==a[b]?null:a[b].getCentering();null!=e&&c.addLast(JU.P3.newP(e))}return c},"~A");b.getLatticeCenteringStrings=
d(b,"getLatticeCenteringStrings",function(a){for(var c=new JU.Lst,b=0;b<a.length;b++)null!=(null==a[b]?null:a[b].getCentering())&&c.addLast(a[b].xyzOriginal);return c},"~A");d(b,"getOpIsCCW",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opIsCCW});d(b,"getOpType",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opType});d(b,"getOpOrder",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opOrder});d(b,"getOpPoint",function(){-1==this.opType&&this.setOpTypeAndOrder();
return this.opPoint});d(b,"getOpAxis",function(){-1==this.opType&&this.setOpTypeAndOrder();return this.opAxis});d(b,"getOpPoint2",function(){return this.opPoint2});d(b,"getOpTrans",function(){-1==this.opType&&this.setOpTypeAndOrder();return null==this.opTrans?this.opTrans=new JU.V3:this.opTrans});b.opGet3code=d(b,"opGet3code",function(a){for(var c=0,b=C(4,0),e=0;3>e;e++){a.getRow(e,b);for(var d=0;3>d;d++)switch(z(b[d])){case 1:c|=d+1<<(2-e<<3);break;case -1:c|=16+d+1<<(2-e<<3)}}return c},"JU.M4");
b.opGet3x=d(b,"opGet3x",function(a){if(0!=a.m22)return JS.SymmetryOperation.x;a=JS.SymmetryOperation.opGet3code(a);for(var c=0;8>c;c++)if(a==JS.SymmetryOperation.C3codes[c])return null==JS.SymmetryOperation.xneg&&(JS.SymmetryOperation.xneg=JU.V3.newV(JS.SymmetryOperation.x),JS.SymmetryOperation.xneg.scale(-1)),JS.SymmetryOperation.xneg;return JS.SymmetryOperation.x},"JU.M4");d(b,"setOpTypeAndOrder",function(){this.clearOp();var a=Math.round(this.determinant3()),c=Math.round(this.m00+this.m11+this.m22),
b=0,e=0,d=JS.SymmetryOperation.x;switch(c){case 3:JS.SymmetryOperation.hasTrans(this)?(this.opType=1,this.opTrans=new JU.V3,this.getTranslation(this.opTrans),this.opOrder=2):(this.opType=0,this.opOrder=1);return;case -3:this.opType=4;b=2;break;default:b=c*a+3,5==b&&(b=6),0<a?(this.opType=2,e=F(180*Math.acos((c-1)/2)/3.141592653589793),120==e&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),d=this.opX)):2==b?this.opType=8:(this.opType=6,3==b&&(b=6),e=F(180*Math.acos((-c-1)/2)/3.141592653589793),
120==e&&(null==this.opX&&(this.opX=JS.SymmetryOperation.opGet3x(this)),d=this.opX))}this.opOrder=b;var g=new JU.M4,a=new JU.P3,c=JU.P3.newP(d);g.setM4(this);for(var h=new JU.P3,k=JU.P3.newP(c),l=new JU.P3,j=JU.P3.newP(c),q=new JU.P3,n=1;n<b;n++)g.mul(this),this.rotTrans(a),this.rotTrans(c),1==n&&q.setT(c),h.add(a),k.add(c),6==this.opType&&(0==n%2?j.add(c):l.add(c));this.opTrans=new JU.V3;g.getTranslation(this.opTrans);this.opTrans.scale(1/b);n=JS.SymmetryOperation.approx6(this.opTrans.length());this.opPoint=
new JU.P3;var p=null,g=!0;switch(this.opType){case 4:k.add2(c,d);k.scale(0.5);this.opPoint=JU.P3.newP(JS.SymmetryOperation.opClean6(k));g=JS.SymmetryOperation.checkOpPoint(this.opPoint);break;case 6:l.scale(2/b);j.scale(2/b);p=JU.V3.newVsub(l,j);p.normalize();this.opAxis=JS.SymmetryOperation.opClean6(p);h.add2(l,j);k.scale(1/b);this.opPoint.setT(JS.SymmetryOperation.opClean6(k));g=JS.SymmetryOperation.checkOpPoint(this.opPoint);180!=e&&(c.cross(d,c),this.opIsCCW=Boolean.$valueOf(0>c.dot(p)));break;
case 2:p=JU.V3.newVsub(k,h);p.normalize();this.opAxis=JS.SymmetryOperation.opClean6(p);h.scale(1/b);a.setT(h);0<n&&h.sub(this.opTrans);this.opPoint.setT(h);JS.SymmetryOperation.opClean6(this.opPoint);180!=e&&(c.cross(d,c),this.opIsCCW=Boolean.$valueOf(0>c.dot(p)));if(g=(new Boolean(g&JS.SymmetryOperation.checkOpAxis(a,0==n?this.opAxis:this.opTrans,h,new JU.V3,new JU.V3,null))).valueOf())this.opPoint.setT(h),JS.SymmetryOperation.checkOpAxis(this.opPoint,this.opAxis,c,new JU.V3,new JU.V3,this.opPoint)&&
(this.opPoint2=JU.P3.newP(c)),0<n&&(h.scaleAdd2(0.5,this.opTrans,this.opPoint),g=JS.SymmetryOperation.checkOpPoint(h),null!=this.opPoint2&&(h.scaleAdd2(0.5,this.opTrans,this.opPoint2),JS.SymmetryOperation.checkOpPoint(h)||(this.opPoint2=null)),0>p.dot(a)&&(g=!1));break;case 8:a.sub(this.opTrans),a.scale(0.5),this.opPoint.setT(a),q.sub(this.opTrans),this.opAxis=JU.V3.newVsub(q,d),c.scaleAdd2(0.5,this.opAxis,d),this.opAxis.normalize(),this.opPlane=new JU.P4,a.set(d.x+1.1,d.y+1.7,d.z+2.1),a.scale(0.5),
this.rotTrans(a),a.sub(this.opTrans),a.scaleAdd2(0.5,d,a),a.scale(0.5),p=new JU.V3,g=JS.SymmetryOperation.checkOpPlane(this.opPoint,a,c,this.opPlane,p,new JU.V3),JS.SymmetryOperation.opClean6(this.opPlane),0==JS.SymmetryOperation.approx6(this.opPlane.w)&&(this.opPlane.w=0),JS.SymmetryOperation.approx6Pt(this.opAxis),JS.SymmetryOperation.normalizePlane(this.opPlane)}if(0<n){JS.SymmetryOperation.opClean6(this.opTrans);b=1;if(8==this.opType){if(0==this.opTrans.z&&1.25==this.opTrans.lengthSquared()||
0.5==this.opTrans.z&&1.5==this.opTrans.lengthSquared()?(b=1.25,this.opIsLong=!0):b=0.78,this.opGlide=JU.V3.newV(this.opTrans),this.fixNegTrans(this.opGlide),0==this.opGlide.length()&&(this.opGlide=null),(1==this.opTrans.x||1==this.opTrans.y||1==this.opTrans.z)&&-1==this.m22)g=!1}else 0==this.opTrans.z&&1.25==this.opTrans.lengthSquared()&&(b=1.25,this.opIsLong=!0);this.opType|=1;if(Math.abs(JS.SymmetryOperation.approx(this.opTrans.x))>=b||Math.abs(JS.SymmetryOperation.approx(this.opTrans.y))>=b||Math.abs(JS.SymmetryOperation.approx(this.opTrans.z))>=
b)g=!1}else this.opTrans=null;g||(this.isIrrelevant=!0)});d(b,"fixNegTrans",function(a){a.x=JS.SymmetryOperation.normHalf(a.x);a.y=JS.SymmetryOperation.normHalf(a.y);a.z=JS.SymmetryOperation.normHalf(a.z)},"JU.V3");b.normalizePlane=d(b,"normalizePlane",function(a){JS.SymmetryOperation.approx6Pt(a);a.w=JS.SymmetryOperation.approx6(a.w);(0<a.w||0==a.w&&(0>a.x||0==a.x&&0>a.y||0==a.y&&0>a.z))&&a.scale4(-1);JS.SymmetryOperation.opClean6(a);a.w=JS.SymmetryOperation.approx6(a.w)},"JU.P4");b.isCoaxial=d(b,
"isCoaxial",function(a){return 1==Math.abs(JS.SymmetryOperation.approx(a.x))||1==Math.abs(JS.SymmetryOperation.approx(a.y))||1==Math.abs(JS.SymmetryOperation.approx(a.z))},"JU.T3");d(b,"clearOp",function(){this.doFinalize();this.isIrrelevant=!1;this.opIsCCW=this.opPlane=this.opPoint=this.opPoint2=this.opTrans=null;this.opIsLong=!1});b.hasTrans=d(b,"hasTrans",function(a){return 0!=JS.SymmetryOperation.approx6(a.m03)||0!=JS.SymmetryOperation.approx6(a.m13)||0!=JS.SymmetryOperation.approx6(a.m23)},"JU.M4");
b.checkOpAxis=d(b,"checkOpAxis",function(a,c,b,e,d,g){null==JS.SymmetryOperation.opPlanes&&(JS.SymmetryOperation.opPlanes=JU.BoxInfo.getBoxFacesFromOABC(null));for(var h=JU.BoxInfo.faceOrder,k=null==g?1:-1,l=0;6>l;l++){var j=JU.Measure.getIntersection(a,c,JS.SymmetryOperation.opPlanes[h[l]],b,e,d);if(null!=j&&JS.SymmetryOperation.checkOpPoint(j)&&0>c.dot(e)*k&&(null==g||0<=JS.SymmetryOperation.approx(g.distance(j)-0.5)))return!0}return!1},"JU.P3,JU.V3,JU.P3,JU.V3,JU.V3,JU.P3");b.opClean6=d(b,"opClean6",
function(a){0==JS.SymmetryOperation.approx6(a.x)&&(a.x=0);0==JS.SymmetryOperation.approx6(a.y)&&(a.y=0);0==JS.SymmetryOperation.approx6(a.z)&&(a.z=0);return a},"JU.T3");b.checkOpPoint=d(b,"checkOpPoint",function(a){return JS.SymmetryOperation.checkOK(a.x,0)&&JS.SymmetryOperation.checkOK(a.y,0)&&JS.SymmetryOperation.checkOK(a.z,0)},"JU.T3");b.checkOK=d(b,"checkOK",function(a,c){return 0!=c||0<=JS.SymmetryOperation.approx(a)&&1>=JS.SymmetryOperation.approx(a)},"~N,~N");b.checkOpPlane=d(b,"checkOpPlane",
function(a,c,b,e,d,g){JU.Measure.getPlaneThroughPoints(a,c,b,d,g,e);c=JU.BoxInfo.unitCubePoints;g=b=0;for(var h=8;0<=--h;){var k=JU.Measure.getPlaneProjection(c[h],e,a,d);switch(z(Math.signum(JS.SymmetryOperation.approx6(k)))){case 1:if(0<g)return!0;b++;break;case -1:if(0<b)return!0;g++}}return!(8==g||8==b)},"JU.P3,JU.P3,JU.P3,JU.P4,JU.V3,JU.V3");b.getAdditionalOperations=d(b,"getAdditionalOperations",function(a,c){for(var b=a.length,e=new JU.Lst,d=new JU.SB,g=new java.util.Hashtable,h=new JU.V3,
k=0;k<b;k++){var l=a[k];l.opPerDim=c;e.addLast(l);var j=l.getOpName(1);d.append(j).appendC(";");0!=(l.getOpType()&8)?JS.SymmetryOperation.addCoincidentMap(g,l,8,h):3==l.getOpType()&&JS.SymmetryOperation.addCoincidentMap(g,l,3,null)}for(k=1;k<b;k++)a[k].addOps(d,e,g,b,k,h);return e.toArray(Array(e.size()))},"~A,~N");d(b,"addOps",function(a,c,b,e,d,g){var h=new JU.V3;this.getTranslation(h);var k=8==(this.getOpType()&8),l=3==this.getOpType(),j=new JU.V3,q=null,n=5,p=-2,m=5,s=-2,r=5,t=-2;switch(this.opPerDim){case 51:case 34:r=
1;t=0;break;case 18:case 19:m=1;s=0;r=1;t=0;break;case 67:n=1;p=0;m=1;s=0;break;case 35:n=1,p=0,r=1,t=0}for(;--n>=p;)for(var v=m;--v>=s;)for(var A=r;--A>=t;)null==q&&(q=new JS.SymmetryOperation(null,0,!1)),j.set(n,v,A),!this.checkOpSimilar(j,g)&&q.opCheckAdd(this,h,e,j,a,c,d+1)&&(k?JS.SymmetryOperation.addCoincidentMap(b,q,8,g):l&&JS.SymmetryOperation.addCoincidentMap(b,q,3,null),q=null)},"JU.SB,JU.Lst,java.util.Map,~N,~N,JU.V3");b.addCoincidentMap=d(b,"addCoincidentMap",function(a,c,b,e){if(!c.isIrrelevant){var d=
c.getOpName(0),g=a.get(d);c.iCoincident=0;b=3==b;if(null==g)a.put(d,g=new JU.Lst);else if(b){if(6==c.opOrder)for(a=g.size();0<=--a;)if(e=g.get(a),!e.isIrrelevant)switch(e.opOrder){case 3:e.isIrrelevant=!0}c.iCoincident=1}else{d=null;for(a=g.size();0<=--a;)if(d=g.get(a),null!=c.opGlide&&null!=d.opGlide){e.sub2(c.opGlide,d.opGlide);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}e.add2(c.opGlide,d.opGlide);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}e.add2(c.opAxis,d.opAxis);if(1E-6>e.lengthSquared()){c.isIrrelevant=
!0;return}}else if(null==c.opGlide&&null==d.opGlide){e.add2(c.opAxis,d.opAxis);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}e.sub2(c.opAxis,d.opAxis);if(1E-6>e.lengthSquared()){c.isIrrelevant=!0;return}}0==d.iCoincident?(c.iCoincident=1,d.iCoincident=-1):c.iCoincident=-d.iCoincident}g.addLast(c)}},"java.util.Map,JS.SymmetryOperation,~N,JU.V3");d(b,"checkOpSimilar",function(a,c){switch(this.getOpType()&-2){default:return!1;case 0:return!0;case 2:return 0==JS.SymmetryOperation.approx6(a.dot(this.opAxis)-
a.length());case 8:return c.cross(a,this.opAxis),0==JS.SymmetryOperation.approx6(c.length())?!1:0==JS.SymmetryOperation.approx6(a.dot(this.opAxis))}},"JU.V3,JU.V3");d(b,"opCheckAdd",function(a,c,b,e,d,g){this.setM4(a);b=JU.V3.newV(e);b.add(c);this.setTranslation(b);this.isFinalized=!0;this.setOpTypeAndOrder();if(this.isIrrelevant||0==this.opType||1==this.opType)return!1;c=this.getOpName(1)+";";if(0==(this.opType&8)&&0<=d.indexOf(c))return!1;d.append(c);this.spinU=a.spinU;this.timeReversal=a.timeReversal;
g.addLast(this);this.isFinalized=!0;this.xyz=JS.SymmetryOperation.getXYZFromMatrix(this,!1,!1,!1);return!0},"JS.SymmetryOperation,JU.V3,~N,JU.V3,JU.SB,JU.Lst,~N");b.approx6Pt=d(b,"approx6Pt",function(a){null!=a&&(a.x=JS.SymmetryOperation.approx6(a.x),a.y=JS.SymmetryOperation.approx6(a.y),a.z=JS.SymmetryOperation.approx6(a.z))},"JU.T3");b.normalize12ths=d(b,"normalize12ths",function(a){a.x=JU.PT.approx(a.x,12);a.y=JU.PT.approx(a.y,12);a.z=JU.PT.approx(a.z,12)},"JU.V3");d(b,"getCode",function(){if(null!=
this.opAxisCode)return this.opAxisCode;var a=this.getOpName(2).charAt(0),c=this.opOrder,b=null==this.opIsCCW?0:this.opIsCCW===Boolean.TRUE?1:2;switch(a.charCodeAt(0)){case 71:a=JS.SymmetryOperation.getGlideFromTrans(this.opTrans,this.opPlane);case 80:JS.SymmetryOperation.isCoaxial(this.opAxis)||(a="P"==a?"p":String.fromCharCode(a.charCodeAt(0)-32));break;case 83:var e=this.opTrans.length();if(null!=this.opIsCCW&&e<(1<e?6:0.5)==(this.opIsCCW===Boolean.TRUE))a="w";break;case 82:JS.SymmetryOperation.isCoaxial(this.opAxis)||
(a="o"),0==this.opPoint.length()&&(a="o"==a?"q":"Q")}return this.opAxisCode=""+a+"."+String.fromCharCode(48+c)+"."+b+"."});b.getGlideFromTrans=d(b,"getGlideFromTrans",function(a,c){var b=Math.abs(JS.SymmetryOperation.approx(12*a.x)),e=Math.abs(JS.SymmetryOperation.approx(12*a.y)),d=Math.abs(JS.SymmetryOperation.approx(12*a.z));9==b&&(b=3);9==e&&(e=3);9==d&&(d=3);var g=3;0==b&&g--;0==e&&g--;0==d&&g--;d=z(b+e+d);switch(g){default:case 1:return 0!=b?"a":0!=e?"b":"c";case 2:switch(d){case 6:return"d";
case 12:if(b=JU.P3.newP(c),b.normalize(),1==Math.abs(JS.SymmetryOperation.approx(b.x+b.y+b.z)))return"n"}break;case 3:switch(d){case 9:return"d";case 18:return"n"}}return"g"},"JU.T3,JU.T3");b.rotateAndTranslatePoint=d(b,"rotateAndTranslatePoint",function(a,c,b,e,d,g){a.rotTrans2(c,g);g.add3(b,e,d)},"JU.M4,JU.P3,~N,~N,~N,JU.P3");b.transformStr=d(b,"transformStr",function(a,c,b,e,d,g,h,k,l){null==b&&(b=JU.M4.newM4(c),b.invert());null==e&&(e=new JU.M4);null==d&&(d=C(16,0));a=JS.SymmetryOperation.getMatrixFromXYZ(a,
d,!0);null!=g&&a.add(g);e.setM4(b);e.mul(a);null!=c&&e.mul(c);null!=h&&a.add(h);if(k){e.getColumn(3,d);for(c=0;3>c;c++)d[c]=(10+d[c])%1;e.setColumnA(3,d)}return JS.SymmetryOperation.getXYZFromMatrixFrac(e,!1,!0,!1,l,!1,null)},"~S,JU.M4,JU.M4,JU.M4,~A,JU.T3,JU.T3,~B,~B");b.stringToMatrix=d(b,"stringToMatrix",function(a,c){var b=JS.SymmetryOperation.setDivisor(a),e=C(16,0);JS.SymmetryOperation.getRotTransArrayAndXYZ(null,a,e,!0,!1,!1,c);return JS.SymmetryOperation.div12(JU.M4.newA16(e),b)},"~S,~S");
b.getTransformXYZ=d(b,"getTransformXYZ",function(a){return JS.SymmetryOperation.getXYZFromMatrixFrac(a,!1,!1,!1,!0,!0,"xyz")},"JU.M4");b.getTransformUVW=d(b,"getTransformUVW",function(a){return JS.SymmetryOperation.getXYZFromMatrixFrac(a,!1,!1,!1,!1,!0,"uvw")},"JU.M4");b.getTransformABC=d(b,"getTransformABC",function(a,c){if(null==a)return"a,b,c";var b=JU.M4.newM4(a),e=new JU.V3;b.getTranslation(e);e.scale(-1);b.add(e);b.transpose();b=JS.SymmetryOperation.getXYZFromMatrixFrac(b,!1,!0,!1,!0,!1,"abc");
if(1E-12>e.lengthSquared())return b;e.scale(-1);return b+";"+(c?JS.SymmetryOperation.norm3(e):JS.SymmetryOperation.opF(e.x)+","+JS.SymmetryOperation.opF(e.y)+","+JS.SymmetryOperation.opF(e.z))},"~O,~B");b.norm3=d(b,"norm3",function(a){return JS.SymmetryOperation.norm(a.x)+","+JS.SymmetryOperation.norm(a.y)+","+JS.SymmetryOperation.norm(a.z)},"JU.T3");b.norm=d(b,"norm",function(a){return JS.SymmetryOperation.opF(JS.SymmetryOperation.normHalf(a))},"~N");b.normHalf=d(b,"normHalf",function(a){for(;-0.5>=
a;)a+=1;for(;0.5<a;)a-=1;return a},"~N");b.toPoint=d(b,"toPoint",function(a,c){null==c&&(c=new JU.P3);var b=JU.PT.split(a,",");c.set(JU.PT.parseFloatFraction(b[0]),JU.PT.parseFloatFraction(b[1]),JU.PT.parseFloatFraction(b[2]));return c},"~S,JU.P3");b.matrixToRationalString=d(b,"matrixToRationalString",function(a){for(var c="(",b=0;3>b;b++)for(var c=c+"\n",e=0;4>e;e++){0<e&&(c+="\t");3==e&&(c+="|  ");var d=a.getElement(b,e);if(d==z(d))c+=0>d?" "+z(d):"  "+z(d);else{var g=Math.round(48*d);0!=JS.SymmetryOperation.approx6(48*
d-g)?c+=d:(g=JS.SymmetryOperation.opF(d),c+=0<d?" "+g:g)}}return c+"\n)"},"JU.M4");d(b,"rotateSpin",function(a){null==this.spinU?this.rotate(a):this.spinU.rotate(a)},"JU.V3");b.staticConvertOperation=d(b,"staticConvertOperation",function(a,c,b){var e=null==c;e&&(c=JS.SymmetryOperation.stringToMatrix(a,b));return"rxyz".equals(b)?JS.SymmetryOperation.matrixToRationalString(c):e?c:JS.SymmetryOperation.getXYZFromMatrixFrac(c,!1,!1,!1,!0,!1,b)},"~S,JU.M4,~S");d(b,"toString",function(){return null==this.rsvs?
this.spinIndex+" "+this.xyz+" "+Ea(this,JS.SymmetryOperation,"toString",[]):Ea(this,JS.SymmetryOperation,"toString",[])+" "+this.rsvs.toString()});b.atomTest=null;b.twelfths=X(-1,"0 1/12 1/6 1/4 1/3 5/12 1/2 7/12 2/3 3/4 5/6 11/12".split(" "));b.labelsXYZ=X(-1,["x","y","z"]);b.labelsUVW=X(-1,["u","v","w"]);b.labelsABC=X(-1,["a","b","c"]);b.labelsMXYZ=X(-1,["mx","my","mz"]);b.labelsXn=X(-1,"x1 x2 x3 x4 x5 x6 x7 x8 x9 x10 x11 x12 x13".split(" "));b.labelsXnSub=X(-1,"xyzabcdefghij".split(""));b.x=JU.P3.new3(3.141592653589793,
2.718281828459045,8.539734222673566);b.C3codes=O(-1,[200978,1184513,1245458,135953,1245442,131857,200962,1180417]);b.xneg=null;b.opPlanes=null});V("JS");da(null,"JS.SymmetryInfo",["JU.PT","JS.SpaceGroup","$.SymmetryOperation","JU.SimpleUnitCell"],function(){var b=L(function(){this.isCurrentCell=!0;this.displayName=null;this.isMultiCell=this.coordinatesAreFractional=!1;this.cellRange=this.infoStr=this.additionalOperations=this.symmetryOperations=this.sgTitle=this.sgName=null;this.latticeType="P";this.intlTableJmolId=
this.intlTableNo=null;this.spaceGroupIndex=0;this.intlTableTransform=this.intlTableIndexNdotM=this.strSUPERCELL=this.spaceGroupF2CParams=this.spaceGroupF2C=this.spaceGroupF2CTitle=null;this.slop=0;this.itaNo=this.sgDerived=null;Q(this,arguments)},JS,"SymmetryInfo",null);d(b,"setSymmetryInfoFromModelkit",function(a){this.cellRange=null;this.sgName=a.getName();this.intlTableJmolId=a.jmolId;this.intlTableNo=a.itaNumber;this.latticeType=a.latticeType;this.symmetryOperations=a.finalOperations;this.coordinatesAreFractional=
!0;this.setInfo(a.getOperationCount())},"JS.SpaceGroup");d(b,"setSymmetryInfoFromFile",function(a,c){this.spaceGroupIndex=a.remove("spaceGroupIndex").intValue();this.cellRange=a.remove("ML_unitCellRange");this.sgName=a.get("spaceGroup");this.spaceGroupF2C=a.remove("f2c");this.spaceGroupF2CTitle=a.remove("f2cTitle");this.spaceGroupF2CParams=a.remove("f2cParams");this.sgTitle=a.remove("spaceGroupTitle");this.strSUPERCELL=a.remove("supercell");if(null==this.sgName||""===this.sgName)this.sgName="spacegroup unspecified";
this.intlTableNo=a.get("intlTableNo");this.intlTableIndexNdotM=a.get("intlTableIndex");this.intlTableTransform=a.get("intlTableTransform");this.intlTableJmolId=a.remove("intlTableJmolId");var b=a.get("latticeType");this.latticeType=null==b?"P":b.charAt(0);this.symmetryOperations=a.remove("symOpsTemp");this.isMultiCell=(this.coordinatesAreFractional=a.containsKey("coordinatesAreFractional")?a.get("coordinatesAreFractional").booleanValue():!1)&&null!=this.symmetryOperations;null==c&&(c=a.get("unitCellParams"));
c=JU.SimpleUnitCell.isValid(c)?c:null;null==c?(this.coordinatesAreFractional=!1,this.cellRange=this.symmetryOperations=null,this.infoStr="",a.remove("unitCellParams"),this.slop=NaN):26<c.length&&(this.slop=c[26]);b=a.containsKey("symmetryCount")?a.get("symmetryCount").intValue():0;this.setInfo(b);return c},"java.util.Map,~A");d(b,"setInfo",function(a){var c="Spacegroup: "+this.sgName;if(null!=this.symmetryOperations){for(var b="",e="\nNumber of symmetry operations: "+(0==a?1:a)+"\nSymmetry Operations:",
d=0;d<a;d++){var g=this.symmetryOperations[d],e=e+("\n"+g.fixMagneticXYZ(g,g.xyz));g.isCenteringOp&&(b+=" ("+JU.PT.rep(JU.PT.replaceAllCharacters(g.xyz,"xyz","0"),"0+","")+")")}0<b.length&&(c+="\nCentering: "+b);c=c+e+"\n"}this.infoStr=c},"~N");d(b,"getAdditionalOperations",function(){null==this.additionalOperations&&null!=this.symmetryOperations&&(this.additionalOperations=JS.SymmetryOperation.getAdditionalOperations(this.symmetryOperations,115));return this.additionalOperations});d(b,"getDerivedSpaceGroup",
function(){null==this.sgDerived&&(this.sgDerived=JS.SpaceGroup.getSpaceGroupFromIndex(this.spaceGroupIndex));return this.sgDerived});d(b,"setIsCurrentCell",function(a){return this.isCurrentCell!=a&&!0==(this.isCurrentCell=a)},"~B");d(b,"getSpaceGroupTitle",function(){return this.isCurrentCell&&null!=this.spaceGroupF2CTitle?this.spaceGroupF2CTitle:this.sgName.startsWith("cell=")?this.sgName:this.sgTitle});d(b,"getDisplayName",function(a){if(null==this.displayName){var c=a.isPolymer(),b=a.isSlab();
a=c?"polymer":b?"slab":this.getSpaceGroupTitle();if(null==a)return null;a.startsWith("cell=!")&&(a="cell=inverse["+a.substring(6)+"]");a=JU.PT.rep(a,";0,0,0","");if(0>a.indexOf("#")){var e=this.intlTableTransform,d=this.intlTableIndexNdotM;!b&&(!c&&null!=d)&&(null!=e&&(c=a.indexOf(e),0<=c&&(a=JU.PT.rep(a,"("+e+")","")),0>d.indexOf(e)&&(c=d.indexOf("."),0<c&&(d=d.substring(0,c)),d+=":"+e)),a=(a.startsWith("0")?"":a.equals("unspecified!")?"#":a+" #")+d)}0<=a.indexOf("-- [--]")&&(a="");this.displayName=
a}return this.displayName},"JS.Symmetry");d(b,"getClegId",function(){if(null==this.itaNo){this.itaNo=this.intlTableIndexNdotM;if(null==this.itaNo||0<this.itaNo.indexOf(":"))return this.itaNo;var a=this.itaNo.indexOf(".");this.itaNo=(0<a?this.itaNo.substring(0,a):this.itaNo)+":"+this.intlTableTransform}return this.itaNo})});V("JS");da(["JU.P3","$.V3"],"JS.SymmetryDesc","java.util.Hashtable JU.A4 $.BS $.Lst $.M3 $.M4 $.Measure $.P4 $.PT $.Quat $.SB J.api.Interface JS.T JS.SpaceGroup $.Symmetry $.SymmetryOperation JU.Escape $.Logger".split(" "),
function(){var b=L(function(){this.drawID=this.modelSet=null;Q(this,arguments)},JS,"SymmetryDesc",null);d(b,"set",function(a){this.modelSet=a;return this},"JM.ModelSet");d(b,"getSymopInfoForPoints",function(a,c,b,e,d,g,h,k,l,j,q,n){e=n.get(22)||n.get(3)&&3==n.cardinality();n.clear(22);var p=e?"":null;g=this.getSpaceGroupInfo(a,c,null,b,d,g,h,l,j,!1,!0,q,null,n);if(null==g)return p;a=g.get("operations");if(null==a)return p;c=e?new JU.SB:null;b--;d=!e&&0>b;g=g.get("symmetryInfo");j="label".equals(k);
for(l=k=0;l<a.length;l++)if(!(null==a[l]||0<=b&&b!=l))if(e){if(null!=h)return a[l][3]+"\nprint "+JU.PT.esc(g);0<c.length()&&c.appendC("\n");j||(0>b&&c.appendI(l+1).appendC("\t"),c.append(a[l][0]).appendC("\t"));c.append(a[l][2])}else{if(!d)return a[l];a[k++]=a[l]}if(!e){b=Array(k);for(l=0;l<k;l++)b[l]=a[l];return b}return 0==c.length()?null!=h?'draw ID "'+h+'*" delete':p:c.toString()},"J.api.SymmetryInterface,~N,~N,JU.P3,JU.P3,JU.P3,~S,~S,~N,~N,~N,JU.BS");d(b,"getDrawID",function(a){return this.drawID+
a+'" '},"~S");d(b,"getSymopInfo",function(a,c,b,e,d,g,h,k,l,j,q,n){0==k&&(k=JS.SymmetryDesc.getType(h));var p=1153433601==k?new JU.BS:"",m=0<=a?this.modelSet.at[a].mi:this.modelSet.vwr.am.cmi;if(0>m)return p;var s=this.modelSet.am[m].biosymmetry;if(null==s&&null==(s=this.modelSet.getUnitCell(m)))s=(new JS.Symmetry).setUnitCellFromParams(null,!1,NaN);if(135176!=k||2147483647!=b&&null==n)return this.getSymmetryInfo(m,a,s,c,b,e,d,g,h,k,l,j,q,!1);if(null==s)return p;k="";b=null==c&&(0>j&&null==n)&&-2==
j?s.getAdditionalOperations():s.getSymmetryOperations();if(null!=b)if(null==h&&(h="sg"),p=b.length,null!=d&&null==g||null!=n){null==n&&(n=s.getInvariantSymops(d,null));for(var p=n.length,r=0;r<p;r++)0<j&&j!=r+1||(b=n[r],k+=this.getSymmetryInfo(m,a,s,c,b,e,d,g,h+b,135176,l,j,q,null==d))}else for(b=1;b<=p;b++)k+=this.getSymmetryInfo(m,a,s,c,b,e,d,g,h+b,135176,l,j,q,!0);return k},"~N,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~A");d(b,"getSpaceGroupInfo",function(a,c,b,e,d,g,h,k,l,j,q,n,p,m){null==m&&(m=
new JU.BS,m.setBits(0,JS.SymmetryDesc.keys.length),m.clear(19));var s=1==m.cardinality()&&m.get(10),r=null,t=!s&&null==d&&null==h&&0>=l&&m.cardinality()>=JS.SymmetryDesc.keys.length,v=!1,A=null,x=null!=b&&0<b.length,D=x&&0<=b.indexOf("[--]");if(q||!x){var w=t&&0==e;if(s)p=a;else{0>c&&(c=I(d,"JM.Atom")?d.mi:this.modelSet.vwr.am.cmi);if(0>c)A="no single current model";else if(null==p&&!(v=null!=(p=this.modelSet.am[c].biosymmetry))&&null==(p=this.modelSet.getUnitCell(c)))A="not applicable";null!=A?(r=
new java.util.Hashtable,r.put("spaceGroupInfo",""),r.put("spaceGroupNote",A),r.put("symmetryInfo","")):t&&(r=this.modelSet.getInfo(c,"spaceGroupInfo"));if(null!=r)return r;b=p.getSpaceGroupName()}var A=p.getDimensionality(),r=new java.util.Hashtable,z=p.getSymmetryOperations(),y=v?p.spaceGroup:null,t=D?"":null,C=0;if(null!=z){a=J.api.Interface.getSymmetry(null,"desc");if(!s)if(v)a.setSpaceGroupTo(JS.SpaceGroup.getNull(!1,!1,!1));else if(a.setSpaceGroup(!1),0!=p.getGroupType()){var F=p.getSpaceGroup(),
G=a.getSpaceGroup();G.nDim=A;G.groupType=F.groupType;G.setClegId(F.getClegId())}for(var F=Array(z.length),G="",L=null==h||null==d||null==g&&0>l?0:1,$=0;L<z.length&&$!=l;L++){var P=z[L],E=P.xyzOriginal,R=P.xyzCanonical,O=P.spinU,Q=P.timeReversal,X=P.spinIndex,N;if(s)N=L;else{N=!(0==L&&0<=P.xyz.indexOf("x4"))&&null!=a.getSpaceGroupOperation(L)?L:v?a.addBioMoleculeOperation(y.finalOperations[L],!1):a.addSpaceGroupOperation("="+P.xyz,L+1);if(0>N)continue;P=a.getSpaceGroupOperation(L);if(null==P)continue;
P.xyzOriginal=E;P.xyzCanonical=R;P.spinU=O;P.spinIndex=X;P.timeReversal=Q}null!=t&&(t+=";"+P.xyz);P=0<e&&e-1!=N?null:this.createInfoArray(P,p,d,g,h,k,n,!1,m,!1,!1,A);if(null!=P&&($++,!(0<l&&$!=l)&&(F[L]=P,s||(G+="\n"+(L+1)+(null!=h&&1==$?"*":"")+"\t"+P[m.get(19)?19:2==A?18:0]+"\t  "+P[2]),C++,0<e)))break}r.put("operations",F);s||r.put("symmetryInfo",0==G.length?"":G.substring(1))}if(s)return r;A=0==C?"\n no symmetry operations":0>=l&&0>=e?"\n"+C+" symmetry operation"+(1==C?":\n":"s:\n"):"";null!=
t&&(b=t.substring(t.indexOf(";")+1));w&&this.modelSet.setInfo(c,"spaceGroupInfo",r)}else r=new java.util.Hashtable;r.put("spaceGroupName",b);r.put("spaceGroupNote",null==A?"":A);if(v)a=b;else if(x&&!D&&a.setSpaceGroupName(b),a=a.getSpaceGroupInfoObj(b,null==p?null:p.getUnitCellParams(),j,!q),null==a||a.equals("?"))a="?",r.put("spaceGroupNote","could not identify space group from name: "+b+'\nformat: show spacegroup "2" or "P 2c" or "C m m m" or "x, y, z;-x ,-y, -z"\n');r.put("spaceGroupInfo",a);return r},
"J.api.SymmetryInterface,~N,~S,~N,JU.P3,JU.P3,~S,~N,~N,~B,~B,~N,J.api.SymmetryInterface,JU.BS");d(b,"getTransform",function(a,c,b,e,d){JS.SymmetryDesc.pta02.setT(e);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);a.unitize(JS.SymmetryDesc.pta02);e=3.4028235E38;for(var g=-1,h=0,k=c.length;h<k;h++){var l=c[h];JS.SymmetryDesc.pta01.setT(b);l.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);var j=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);
if(1.96E-6>j){JS.SymmetryDesc.vtrans.sub(JS.SymmetryDesc.ptemp);JS.SymmetryOperation.normalize12ths(JS.SymmetryDesc.vtrans);l=JU.M4.newM4(l);l.add(JS.SymmetryDesc.vtrans);JS.SymmetryDesc.pta01.setT(b);l.rotTrans(JS.SymmetryDesc.pta01);a.unitize(JS.SymmetryDesc.pta01);j=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02);if(1.96E-6<=j)continue;return l}j<e&&(e=j,g=h)}d&&(l=c[g],JS.SymmetryDesc.pta01.setT(b),l.rotTrans(JS.SymmetryDesc.pta01),a.unitize(JS.SymmetryDesc.pta01));return null},"JS.UnitCell,~A,JU.P3,JU.P3,~B");
b.getType=d(b,"getType",function(a){var c;if(null==a)return 1073742001;switch(a.toLowerCase()){case "xyzcanonical":return 1111492629;case "xyzoriginal":return 1073742078;case "matrix":return 12;case "description":return 1825200146;case "axispoint":return 134217751;case "time":return 268441089;case "info":return 1275068418;case "element":return 1086326789;case "invariant":return 36868}c=JS.T.getTokFromName(a);if(0!=c)return c;c=JS.SymmetryDesc.getKeyType(a);return 0>c?c:1073742327},"~S");b.getKeyType=
d(b,"getKeyType",function(a){"type".equals(a)&&(a="_type");for(var c=0;c<JS.SymmetryDesc.keys.length;c++)if(a.equalsIgnoreCase(JS.SymmetryDesc.keys[c]))return-1-c;return 0},"~S");b.nullReturn=d(b,"nullReturn",function(a){switch(a){case 135176:return";draw ID sym* delete;draw ID sg* delete;";case 1073741961:case 1825200146:case 1073741974:case 1145047049:case 1145047053:case 11:case 1111492629:case 1073742078:case 1145045003:case 1095241729:return"";case 1153433601:return new JU.BS;default:return null}},
"~N");b.getInfo=d(b,"getInfo",function(a,c,b){if(0==a.length)return"";if(0>c&&-c<=JS.SymmetryDesc.keys.length&&-c<=a.length)return a[-1-c];switch(c){case 1073742327:case 1073741982:return a;case 1275068418:c=new java.util.Hashtable;b=0;for(var e=a.length;b<e;b++){var d=3==b?"draw":7==b?"axispoint":JS.SymmetryDesc.keys[b];null!=a[b]&&c.put(d,a[b])}return c;case 1073742001:return a[16]+"\t"+a[2==b?18:0]+"  \t"+a[2];case 1073741961:return a[0]+"  \t"+a[2];case 1145047049:return a[0];case 1145047053:return a[19];
case 1111492629:return a[18];case 1073742078:return a[1];default:case 1825200146:return a[2];case 134217764:if(!JU.Logger.debugging)return a[3];case 135176:return a[3]+"\nprint "+JU.PT.esc(a[0]+" "+a[2]);case 1145047050:return a[4];case 1073742178:return a[5];case 12289:return a[6];case 134217751:return a[7];case 1095241729:return a[20];case 1073741854:return a[8];case 134217729:return a[9];case 1145045003:case 12:return a[10];case 1814695966:return a[11];case 4160:return a[12];case 268441089:return a[13];
case 134217750:return a[14];case 1140850696:return a[15];case 1073741974:return a[16];case 1086326789:return X(-1,[a[6],a[7],a[8],a[14],a[5]]);case 36868:return null!=a[6]?a[6]:null!=a[8]?X(-1,[a[7],a[8],a[5]]):null!=a[5]?"none":null!=a[14]?a[14]:"identity"}},"~A,~N,~N");b.getInfoBS=d(b,"getInfoBS",function(a){var c=new JU.BS;if(0>a&&-a<=JS.SymmetryDesc.keys.length)return c.set(-1-a),c;switch(a){case 0:case 1153433601:case 1073742001:case 1073742327:case 1073741982:case 1275068418:c.setBits(0,JS.SymmetryDesc.keys.length);
break;case 1073741961:c.set(0);c.set(2);break;case 1145047049:c.set(0);break;case 1145047053:c.set(19);break;case 1111492629:c.set(18);break;case 1073742078:c.set(1);break;default:case 1825200146:c.set(2);break;case 135176:c.set(0);c.set(2);c.set(3);break;case 1145047050:c.set(4);break;case 1073742178:c.set(5);break;case 12289:c.set(6);break;case 134217751:c.set(7);break;case 1095241729:c.set(20);break;case 1073741854:c.set(8);break;case 134217729:c.set(9);break;case 12:c.set(10);break;case 1814695966:c.set(11);
break;case 4160:c.set(12);break;case 268441089:c.set(13);break;case 134217750:c.set(14);break;case 1140850696:c.set(15);break;case 1073741974:c.set(16);break;case 1086326789:case 36868:c.set(5),c.set(6),c.set(7),c.set(8),c.set(14),c.set(23)}return c},"~N");d(b,"createInfoArray",function(a,c,b,e,d,g,h,k,l,j,q,n){a.doFinalize();var p=(new Boolean(l.get(10)&l.cardinality()==(l.get(24)?2:1))).valueOf(),m=-1==a.timeReversal,s=null!=a.spinU;0==g&&(g=1);JS.SymmetryDesc.vtrans.set(0,0,0);var r=null,t=null==
b||Float.isNaN(b.x)?c.getCartesianOffset():b;if(null!=e){JS.SymmetryDesc.pta01.setT(t);JS.SymmetryDesc.pta02.setT(e);c.toFractional(JS.SymmetryDesc.pta01,!1);c.toFractional(JS.SymmetryDesc.pta02,!1);a.rotTrans(JS.SymmetryDesc.pta01);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta01);c.unitize(JS.SymmetryDesc.pta01);JS.SymmetryDesc.vtrans.setT(JS.SymmetryDesc.pta02);c.unitize(JS.SymmetryDesc.pta02);if(1.96E-6<=JS.SymmetryDesc.pta01.distanceSquared(JS.SymmetryDesc.pta02))return null;JS.SymmetryDesc.vtrans.sub(JS.SymmetryDesc.ptemp)}var v=
JU.M4.newM4(a);v.add(JS.SymmetryDesc.vtrans);l.get(10)&&(null!=e&&t.equals(e))&&(v.m00=Math.round(v.m00),v.m01=Math.round(v.m01),v.m02=Math.round(v.m02),v.m03=Math.round(v.m03),v.m10=Math.round(v.m10),v.m11=Math.round(v.m11),v.m12=Math.round(v.m12),v.m13=Math.round(v.m13),v.m20=Math.round(v.m20),v.m21=Math.round(v.m21),v.m22=Math.round(v.m22),v.m23=Math.round(v.m23));var A=0!=a.timeReversal||null!=a.spinU;if(p&&!A){var x=JS.SymmetryDesc.getKeyType("matrix"),D=Array(-x);D[-1-x]=l.get(24)?JS.SymmetryOperation.matrixToRationalString(v):
v;return D}var w=new JU.V3;JS.SymmetryDesc.pta01.set(1,0,0);JS.SymmetryDesc.pta02.set(0,1,0);var C=JU.P3.new3(0,0,1);JS.SymmetryDesc.pta01.add(t);JS.SymmetryDesc.pta02.add(t);C.add(t);var y=JS.SymmetryDesc.rotTransCart(a,c,t,JS.SymmetryDesc.vtrans),H=JS.SymmetryDesc.rotTransCart(a,c,JS.SymmetryDesc.pta01,JS.SymmetryDesc.vtrans),L=JS.SymmetryDesc.rotTransCart(a,c,JS.SymmetryDesc.pta02,JS.SymmetryDesc.vtrans),G=JS.SymmetryDesc.rotTransCart(a,c,C,JS.SymmetryDesc.vtrans),O=JU.V3.newVsub(H,y),$=JU.V3.newVsub(L,
y),P=JU.V3.newVsub(G,y);JS.SymmetryOperation.approx6Pt(JS.SymmetryDesc.vtrans);var E=new JU.V3;E.cross(O,$);var R=0>E.dot(P);R&&(H.sub2(y,O),L.sub2(y,$),G.sub2(y,P));var Q=JU.Quat.getQuaternionFrame(y,H,L).div(JU.Quat.getQuaternionFrame(t,JS.SymmetryDesc.pta01,JS.SymmetryDesc.pta02)),X=JU.Quat.new4(Q.q1,Q.q2,Q.q3,Q.q0),Z=JU.Measure.computeHelicalAxis(t,y,X),N=JU.P3.newP(Z[0]),S=JU.P3.newP(Z[1]),ba=z(Math.abs(JU.PT.approx(Z[3].x,1))),V=JS.SymmetryOperation.approx(Z[3].y);R&&(H.add2(y,O),L.add2(y,$),
G.add2(y,P));var T=JU.V3.newVsub(y,t);0.1>T.length()&&(T=null);var U=null,Y=null,M=null,aa=null,da=0,ha=0,la=0==ba,fa=!la,pa=!1,wa=!1,Da=!fa&&!R;if(fa||R)T=null;var xa=!1,Ra=c.getPeriodicity(),Sa=0==(Ra&1),Ma=0==(Ra&2),Fa=0==(Ra&4),aa=JU.V3.new3(0,0,1);if(3==n)switch(Ra){case 1:aa=JU.V3.new3(1,0,0);xa=!0;break;case 2:xa=!0;aa=JU.V3.new3(0,1,0);break;case 4:xa=!0}var Ea=!(Sa||Ma||Fa),ya=Math.abs(S.dot(aa)/aa.length()/S.length());0.001>Math.abs(ya-1)?(xa=!1,aa=null):Ea=!xa;if(R&&la)Y=JU.P3.newP(t),
Y.add(y),Y.scale(0.5),U=y,pa=!0;else if(R){var va=0==V?new JU.V3:S,Na=0;switch(ba){case 60:Na=0.6666667;break;case 120:Na=2;break;case 90:Na=1;break;case 180:M=JU.P3.newP(t);M.add(va);N.scaleAdd2(0.5,va,t);0.1<M.distance(y)?(T=JU.V3.newVsub(y,M),w.setT(T),c.toFractional(w,!0)):T=null;E.setT(S);E.normalize();da=-E.x*N.x-E.y*N.y-E.z*N.z;r=JU.P4.new4(E.x,E.y,E.z,da);ha=0.01>Math.abs(da)&&0.4<E.x*E.y?1.3:1.05;R=fa=!1;wa=!0;if(Fa&&(aa=JU.V3.newVsub(t,C),ya=Math.abs(S.dot(aa)/aa.length()/S.length()),Fa=
0.001>ya))aa.scale(0.5),c.toCartesian(aa,!0);if(Ma){var ma=JU.V3.newVsub(t,JS.SymmetryDesc.pta02),ya=xa?0:Math.abs(S.dot(ma)/ma.length()/S.length());if(Ma=0.001>ya)ma.scale(0.5),c.toCartesian(ma,!0),Fa?aa.add(ma):aa=ma}if(Sa&&(ma=JU.V3.newVsub(t,JS.SymmetryDesc.pta01),ya=xa?0:Math.abs(S.dot(ma)/ma.length()/S.length()),Sa=0.001>ya))ma.scale(0.5),c.toCartesian(ma,!0),Ma||Fa?aa.add(ma):aa=ma;break;default:R=!1}0!=Na&&(E.sub2(t,N),E.add(y),E.sub(N),E.sub(va),E.scale(Na),N.add(E),Y=new JU.P3,Y.scaleAdd2(0.5,
va,N),U=new JU.P3,U.scaleAdd2(-2,Y,y),U.scale(-1))}else null!=T&&(JS.SymmetryDesc.ptemp.setT(T),c.toFractional(JS.SymmetryDesc.ptemp,!1),w.setT(JS.SymmetryDesc.ptemp),c.toCartesian(JS.SymmetryDesc.ptemp,!1),T.setT(JS.SymmetryDesc.ptemp));var za=ba;JS.SymmetryDesc.approx0(S);if(fa){var ca=new JU.P3;E.setT(S);var ab=ba,Ta;R?(ca.setT(U),Ta=U):0==V?(Ta=y,ca.setT(N)):(Ta=y,ca.scaleAdd2(0.5,E,N));JS.SymmetryDesc.ptemp.add2(N,E);ab=Math.round(JU.Measure.computeTorsion(t,N,JS.SymmetryDesc.ptemp,Ta,!0));0!=
JS.SymmetryOperation.approx(ab)&&(ba=ab,0>ba&&(ba=360+ba))}var ia=null,ta=null,Aa=String.fromCharCode(0),Ja=a.isIrrelevant,sa=a.getOpOrder();a.isIrrelevant=(new Boolean(a.isIrrelevant|Ja)).valueOf();var qa=a.getOpIsCCW(),na=0,ua=0;if(l.get(2)||l.get(15)){ia=ta="identity";if(pa)JS.SymmetryDesc.ptemp.setT(Y),c.toFractional(JS.SymmetryDesc.ptemp,!1),ia="Ci: "+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio),ta="inversion center";else if(fa){var Ua="";null!=qa&&(Ua=qa===Boolean.TRUE?"(+)":"(-)",
na=qa===Boolean.TRUE?1:-1,R&&-1==na&&(Ja=!0));ua=F(360/za);R?ia=ua+"-bar"+Ua+" axis":0!=V?(JS.SymmetryDesc.ptemp.setT(S),c.toFractional(JS.SymmetryDesc.ptemp,!0),ia=ua+Ua+" ("+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio)+") screw axis"):(ia=ua+Ua+" axis",0==sa%2&&(na*=F(sa/2)));ta=ia}else if(null!=T){var ka=" "+JS.SymmetryDesc.strCoord(w,a.isBio);2==n&&(ka=ka.substring(0,ka.lastIndexOf(" ")));la?(ta=ia="translation",ia+=":"+ka):wa&&(j&&(JS.SymmetryDesc.fixGlideTrans(w),T.setT(w),c.toCartesian(T,
!0)),ka=" "+JS.SymmetryDesc.strCoord(w,a.isBio),2==n&&(ka=ka.substring(0,ka.lastIndexOf(" "))),Aa=JS.SymmetryOperation.getGlideFromTrans(w,S),ta=ia=Aa+"-glide plane",ia+="|translation:"+ka)}else wa&&(ta=ia="mirror plane");R&&!pa&&(JS.SymmetryDesc.ptemp.setT(Y),c.toFractional(JS.SymmetryDesc.ptemp,!1),ia+="|at "+JS.SymmetryDesc.strCoord(JS.SymmetryDesc.ptemp,a.isBio));m&&(ia+="|time-reversed",ta+=" (time-reversed)")}var bb=!0,Ka=fa&&!R&&0!=V;Ka||(na=0,bb=JS.SymmetryDesc.checkHandedness(c,S),bb||(ba=
-ba,0>ba&&(ba=360+ba),S.scale(-1)));for(var Ga=!1,Va=null;null!=d&&l.get(3);){if(0==a.getOpType()||q&&a.isIrrelevant){JU.Logger.debugging&&System.out.println("!!SD irrelevent "+a.getOpTitle()+a.getOpPoint());Va="";break}var oa=null;this.drawID='\ndraw ID "'+d;var K=new JU.SB;K.append(this.getDrawID("*")).append(" delete");var Oa=3==n;j||(this.drawLine(K,"frame1X",0.15,t,JS.SymmetryDesc.pta01,"red"),this.drawLine(K,"frame1Y",0.15,t,JS.SymmetryDesc.pta02,"green"),Oa&&this.drawLine(K,"frame1Z",0.15,
t,C,"blue"));var ja,Pa=null,cb=0,Ba=0.2>t.distance(y),ra=j?"<hover>"+d+": "+(2==n?a.xyz.$replace(",z",""):a.xyz)+"|"+ia+"</hover>":null;if(fa){ja=2==ua?"red":3==ua?"[xA00040]":4==ua?"[x800080]":"[x4000A0]";var za=ba,La=1;E.setT(S);var Wa="";j&&(N.setT(a.getOpPoint()),c.toCartesian(N,!1));ca=new JU.P3;0!=V&&!R?(oa="screw",ja=qa===Boolean.TRUE?"orange":qa===Boolean.FALSE?"blue":4==sa?"lightgray":"grey",j||(this.drawLine(K,"rotLine1",0.1,t,N,"red"),JS.SymmetryDesc.ptemp.add2(N,E),this.drawLine(K,"rotLine2",
0.1,y,JS.SymmetryDesc.ptemp,"red"),ca.scaleAdd2(0.5,E,N))):(ca.setT(N),bb||!Ba&&!j&&N.sub2(N,E),R?(oa="bar",j?(E.normalize(),qa===Boolean.TRUE&&E.scale(-1)):0==V?(ca.setT(Y),E.scale(3*g),Ba?(JS.SymmetryDesc.ptemp.scaleAdd2(0.25,E,N),N.scaleAdd2(-0.24,E,N),ca.scaleAdd2(0.31,E,ca),ja="cyan"):(JS.SymmetryDesc.ptemp.scaleAdd2(-1,E,N),this.drawLine(K,"rotLine1",0.1,t,Y,"red"),this.drawLine(K,"rotLine2",0.1,U,Y,"red"))):Ba||(La=t.distance(ca),this.drawLine(K,"rotLine1",0.1,t,ca,"red"),this.drawLine(K,"rotLine2",
0.1,U,ca,"red"))):(oa="rot",E.scale(3*g),!Ba&&!j&&(this.drawLine(K,"rotLine1",0.1,t,ca,"red"),this.drawLine(K,"rotLine2",0.1,y,ca,"red")),ca.setT(N),0==V&&Ba&&ca.scaleAdd2(0.25,E,ca)));j||(180<za&&(za=180-za),JS.SymmetryDesc.ptemp.add2(ca,E),K.append(this.getDrawID("rotRotArrow")).append(" arrow width 0.1 scale "+JU.PT.escF(La)+" arc ").append(JU.Escape.eP(ca)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.setT(t),0.1>JS.SymmetryDesc.ptemp.distance(y)&&JS.SymmetryDesc.ptemp.set(Math.random(),
Math.random(),Math.random()),K.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)),JS.SymmetryDesc.ptemp.set(0,za-5*Math.signum(za),0),K.append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color red"));var Xa=0;!a.opIsLong&&(q&&0<V&&!R)&&(Ga=(Xa=a.getOpTrans().length())>(2==sa?0.71:3==sa?0.578:0.51));Ga&&JU.Logger.debugging&&System.out.println("SD ignoring "+a.getOpTrans().length()+" "+a.getOpTitle()+a.xyz);var db=null;if(0==V&&!R){JS.SymmetryDesc.ptemp.scaleAdd2(0.5,E,N);N.scaleAdd2(j?-0.5:-0.45,E,N);if(q&&
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Qa.get(W);K.append(this.getDrawID((null==T?"mirror_":Aa+"_g")+"planep"+W)).append(JU.Escape.eP(Ha[0])).append(JU.Escape.eP(Ha[1]));3==Ha.length?((0==hb||0==ib%2!=(1==hb))&&K.append(JU.Escape.eP(Ha[2])),ib++):(Pa.add(Ha[0]),Pa.add(Ha[1]),cb+=2);K.append(" color translucent ").append(ja);null!=ra&&K.append(" ").append(JU.PT.esc(ra))}if(null==Qa||0==Qa.size())q?Ga=!0:(JS.SymmetryDesc.ptemp.add2(N,S),K.append(this.getDrawID("planeCircle")).append(" scale 2.0 circle ").append(JU.Escape.eP(N)).append(JU.Escape.eP(JS.SymmetryDesc.ptemp)).append(" color translucent ").append(ja).append(" mesh fill"),
null!=ra&&K.append(" ").append(JU.PT.esc(ra)))}R&&(oa="inv",pa?(K.append(this.getDrawID("inv_point")).append(" diameter 0.4 ").append(JU.Escape.eP(Y)),null!=ra&&K.append(" ").append(JU.PT.esc(ra)),JS.SymmetryDesc.ptemp.sub2(U,t),j||this.drawVector(K,"Arrow","vector","0.05",t,JS.SymmetryDesc.ptemp,m?"gray":"cyan",null)):(4==sa&&(K.append(this.getDrawID("RotPoint")).append(" diameter 0.3 color red").append(JU.Escape.eP(Y)),null!=ra&&K.append(" ").append(JU.PT.esc(ra))),j||(K.append(" color cyan"),Ba||
(JS.SymmetryDesc.ptemp.sub2(y,U),this.drawVector(K,"Arrow","vector","0.05",U,JS.SymmetryDesc.ptemp,m?"gray":"cyan",null)),1073742066!=h&&(E.setT(O),E.scale(-1),this.drawFrameLine("X",U,E,0.15,JS.SymmetryDesc.ptemp,K,oa,"red"),E.setT($),E.scale(-1),this.drawFrameLine("Y",U,E,0.15,JS.SymmetryDesc.ptemp,K,oa,"green"),E.setT(P),E.scale(-1),Oa&&this.drawFrameLine("Z",U,E,0.15,JS.SymmetryDesc.ptemp,K,oa,"blue")))));if(null!=T&&(wa&&j?null!=Pa&&(M=Pa,M.scale(1/cb),M.scaleAdd2(-0.5,T,M)):null==M&&(M=j?t:
JU.P3.newP(t)),null!=M&&!Ga)){var jb="\x00"==Aa,Ya=j&&!jb&&!Da;Ya?(JS.SymmetryDesc.ptemp.scaleAdd2(0.5,T,M),JS.SymmetryDesc.vtrans.setT(T),JS.SymmetryDesc.vtrans.scale(0.5)):(JS.SymmetryDesc.ptemp.setT(M),JS.SymmetryDesc.vtrans.setT(T));ja=Ya?m?"orange":"green":m&&(s||!R&&!wa&&!fa)?"darkgray":"gold";this.drawVector(K,(jb?"centering_":Aa+"_g")+"trans_vector","vector",Ya||Da?"0.1":"0.05",JS.SymmetryDesc.ptemp,JS.SymmetryDesc.vtrans,ja,ra);Ya&&(JS.SymmetryDesc.vtrans.scale(-1),this.drawVector(K,Aa+"_gtrans_vector2",
"vector","0.1",JS.SymmetryDesc.ptemp,JS.SymmetryDesc.vtrans,ja,ra))}j||(JS.SymmetryDesc.ptemp2.setT(y),JS.SymmetryDesc.ptemp.sub2(H,y),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),this.drawLine(K,"frame2X",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"red"),JS.SymmetryDesc.ptemp.sub2(L,y),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),this.drawLine(K,"frame2Y",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"green"),JS.SymmetryDesc.ptemp.sub2(G,
y),JS.SymmetryDesc.ptemp.scaleAdd2(0.9,JS.SymmetryDesc.ptemp,JS.SymmetryDesc.ptemp2),Oa&&this.drawLine(K,"frame2Z",0.2,JS.SymmetryDesc.ptemp2,JS.SymmetryDesc.ptemp,"purple"),K.append("\nsym_point = "+JU.Escape.eP(t)),K.append("\nvar p0 = "+JU.Escape.eP(JS.SymmetryDesc.ptemp2)),I(t,"JM.Atom")?(K.append("\nvar set2 = within(0.2,p0);if(!set2){set2 = within(0.2,p0.uxyz.xyz)}"),K.append("\n set2 &= {_"+t.getElementSymbol()+"}")):K.append("\nvar set2 = p0.uxyz"),K.append("\nsym_target = set2;if (set2) {"),
!Ba&&(1073742066!=h&&null==e&&!k)&&(K.append(this.getDrawID("offsetFrameX")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(O)).append("*0.9} color red"),K.append(this.getDrawID("offsetFrameY")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP($)).append("*0.9} color green"),Oa&&K.append(this.getDrawID("offsetFrameZ")).append(" diameter 0.20 @{set2.xyz} @{set2.xyz + ").append(JU.Escape.eP(P)).append("*0.9} color purple")),K.append("\n}\n"));Va=K.toString();
JU.Logger.debugging&&JU.Logger.info(Va);K=null;break}null==T&&(w=null);Ka&&(T=JU.V3.newV(S),JS.SymmetryDesc.ptemp.setT(T),c.toFractional(JS.SymmetryDesc.ptemp,!1),w=JU.V3.newV(JS.SymmetryDesc.ptemp));wa&&(ba=0);R?pa&&(w=T=S=N=null):la&&(S=N=null);null!=S&&S.normalize();var Ca=null;if(l.get(0)||l.get(17))Ca=a.isBio?v.toString():0<a.modDim?a.xyzOriginal:JS.SymmetryOperation.getXYZFromMatrix(v,!1,!1,!1),A?Ca=a.fixMagneticXYZ(v,Ca):2==n&&(Ca=Ca.$replace(",z",""));for(var ga=Array(21),W=l.nextSetBit(0);0<=
W;W=l.nextSetBit(W+1))switch(W){case 0:ga[W]=Ca;break;case 19:if(null!=b&&null==e&&!a.isBio&&0==a.modDim){var Za;JS.SymmetryDesc.pta02.setT(b);c.toFractional(JS.SymmetryDesc.pta02,!0);v.rotTrans(JS.SymmetryDesc.pta02);JS.SymmetryDesc.ptemp.setT(JS.SymmetryDesc.pta02);c.unitize(JS.SymmetryDesc.pta02);JS.SymmetryDesc.vtrans.sub2(JS.SymmetryDesc.pta02,JS.SymmetryDesc.ptemp);v=JU.M4.newM4(a);v.add(JS.SymmetryDesc.vtrans);Za=JS.SymmetryOperation.getXYZFromMatrix(v,!1,!1,!1);A&&(Za=a.fixMagneticXYZ(v,Za));
ga[W]=Za}break;case 1:ga[W]=a.xyzOriginal;break;case 2:ga[W]=ia;break;case 3:ga[W]=Va;break;case 4:ga[W]=JS.SymmetryDesc.approx0(w);break;case 5:ga[W]=JS.SymmetryDesc.approx0(T);break;case 6:ga[W]=JS.SymmetryDesc.approx0(Y);break;case 7:ga[W]=JS.SymmetryDesc.approx0(null!=N&&l.get(23)?t:N);break;case 8:ga[W]=null==r?JS.SymmetryDesc.approx0(S):null;break;case 9:ga[W]=0!=ba?Integer.$valueOf(ba):null;break;case 10:ga[W]=v;break;case 11:ga[W]=0<JS.SymmetryDesc.vtrans.lengthSquared()?JS.SymmetryDesc.vtrans:
null;break;case 12:ga[W]=a.getCentering();break;case 13:ga[W]=Integer.$valueOf(a.timeReversal);break;case 14:null!=r&&l.get(23)&&(va=JU.Measure.distanceToPlane(r,t),r.w-=va);ga[W]=r;break;case 20:ga[W]=a.spinU;break;case 15:ga[W]=ta;break;case 16:ga[W]=Integer.$valueOf(a.number);break;case 17:var Ia=null;if(!a.isBio&&!Ca.equals(a.xyzOriginal)&&0<a.number){var kb=JS.SymmetryOperation.getMatrixFromXYZ(a.xyzOriginal,null,!1);kb.sub(v);Ia=new JU.P3;kb.getTranslation(Ia)}ga[W]=(0>a.number?0:a.number)+
(null==Ia?" [0 0 0]":" ["+z(-Ia.x)+" "+z(-Ia.y)+" "+z(-Ia.z)+"]");break;case 18:ka=a.xyzCanonical,null==ka&&(ka=a.xyz),2==n&&(ka=ka.$replace(",z","")),ga[W]=ka}return ga},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.P3,~S,~N,~N,~B,JU.BS,~B,~B,~N");b.fixGlideTrans=d(b,"fixGlideTrans",function(a){a.x=JS.SymmetryDesc.fixGlideX(a.x);a.y=JS.SymmetryDesc.fixGlideX(a.y);a.z=JS.SymmetryDesc.fixGlideX(a.z)},"JU.V3");b.fixGlideX=d(b,"fixGlideX",function(a){switch(Math.round(48.001*a)){case 36:return-0.25;
case -36:return 0.25;default:return a}},"~N");d(b,"scaleByOrder",function(a,c,b){a.scale(1+0.3/c+(null==b?0:b===Boolean.TRUE?0.02:-0.02))},"JU.V3,~N,Boolean");b.checkHandedness=d(b,"checkHandedness",function(a,c){var b,e,d;JS.SymmetryDesc.ptemp.set(1,0,0);a.toCartesian(JS.SymmetryDesc.ptemp,!1);b=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));JS.SymmetryDesc.ptemp.set(0,1,0);a.toCartesian(JS.SymmetryDesc.ptemp,!1);e=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));JS.SymmetryDesc.ptemp.set(0,
0,1);a.toCartesian(JS.SymmetryDesc.ptemp,!1);d=JS.SymmetryDesc.approx0d(JS.SymmetryDesc.ptemp.dot(c));return 0==b?0==e?0<d:0<e:0==d?0<b:0==e?0<d:0<b*e*d},"J.api.SymmetryInterface,JU.P3");d(b,"drawLine",function(a,c,b,e,d,g){a.append(this.getDrawID(c)).append(" diameter ").appendD(b).append(JU.Escape.eP(e)).append(JU.Escape.eP(d)).append(" color ").append(g)},"JU.SB,~S,~N,JU.P3,JU.P3,~S");d(b,"drawFrameLine",function(a,c,b,e,d,g,h,k){d.setT(c);d.add(b);this.drawLine(g,h+"Pt"+a,e,c,d,"translucent "+
k)},"~S,JU.P3,JU.V3,~N,JU.P3,JU.SB,~S,~S");d(b,"drawVector",function(a,c,b,e,d,g,h,k){b.equals("vline")&&(JS.SymmetryDesc.ptemp2.add2(d,g),b="",g=JS.SymmetryDesc.ptemp2);a.append(this.getDrawID(c)).append(" diameter ").append(e+" ").append(b).append(JU.Escape.eP(d)).append(JU.Escape.eP(g)).append(" color ").append(h);null!=k&&a.append(' "'+k+'"')},"JU.SB,~S,~S,~S,JU.T3,JU.T3,~S,~S");d(b,"drawOrderVector",function(a,c,b,e,d,g,h,k,l,j,q,n,m){this.drawVector(a,c,b,e,d,j,q,n);if(!(2==g||k&&!l)){b=JS.SymmetryDesc.getPolygon(g,
!k?0:l?1:-1,k,d,j);e=b[0];a.append(this.getDrawID(c+"_key")).append(" POLYGON ").appendI(e.size());l=0;for(n=e.size();l<n;l++)a.appendO(e.get(l));a.append(" color ").append(q);if(0!=h&&m){b=JS.SymmetryDesc.getPolygon(g,h,k,d,j);a.append(this.getDrawID(c+"_key2"));e=b[0];a.append(" POLYGON ").appendI(e.size());l=0;for(n=e.size();l<n;l++)a.appendO(e.get(l));e=b[1];a.appendI(e.size());l=0;for(n=e.size();l<n;l++)a.appendO(JU.PT.toJSON(null,e.get(l)));a.append(" color ").append(q)}}},"JU.SB,~S,~S,~S,JU.P3,~N,~N,~B,~B,JU.V3,~S,~S,~B");
b.getPolygon=d(b,"getPolygon",function(a,c,b,e,d){var g=b?0.6:0.4,h=new JU.Lst,k=new JU.Lst,l=JU.V3.newV(d);l.scale(0);l.add(e);var j=JU.V3.new3(0,0,1),q=new JU.V3;e=new JU.M3;q.cross(j,d);0.01>q.length()?e.m00=e.m11=e.m22=1:(q.normalize(),d=j.angle(d),e.setAA(JU.A4.newVA(q,d)));d=6.283185307179586/a*(0>c?-1:1);for(var q=new JU.V3,n=null,m=j=0,B=0,s=0==c?a:a+1;B<s;B++){var r=new JU.P3;r.x=Math.cos(d*B)*g;r.y=Math.sin(d*B)*g;e.rotate(r);r.add(l);B<a&&h.addLast(r);if(!b&&0!=c&&0==B%c&&null!=n){q.sub2(r,
n);var n=B<a?m++:0,t=JU.P3.newP(r);t.scaleAdd2(1,r,t);t.scaleAdd2(-1,l,t);h.addLast(t);k.addLast(O(-1,[j,m++,n,0]));j=n}else j=m++;n=r}return X(-1,[h,k])},"~N,~N,~B,JU.P3,JU.V3");b.rotTransCart=d(b,"rotTransCart",function(a,c,b,e){b=JU.P3.newP(b);c.toFractional(b,!1);a.rotTrans(b);b.add(e);c.toCartesian(b,!1);return b},"JS.SymmetryOperation,J.api.SymmetryInterface,JU.P3,JU.V3");b.strCoord=d(b,"strCoord",function(a,c){JS.SymmetryDesc.approx0(a);return c?"("+a.x+" "+a.y+" "+a.z+")":JS.SymmetryOperation.fcoord(a,
" ")},"JU.T3,~B");b.approx0=d(b,"approx0",function(a){null!=a&&(a.x=JS.SymmetryDesc.approx0d(a.x),a.y=JS.SymmetryDesc.approx0d(a.y),a.z=JS.SymmetryDesc.approx0d(a.z));return a},"JU.T3");b.approx0d=d(b,"approx0d",function(a){return 1E-4>Math.abs(a)?0:a},"~N");d(b,"getSymmetryInfo",function(a,c,b,e,d,g,h,k,l,j,m,n,p,B){var s=0,r=JS.SymmetryDesc.nullReturn(j),t=0;switch(j){case 1073741994:return""+b.getLatticeType();case 1073742001:s=1073742001;break;case 135176:s=135176;break;case 1145045003:s=JS.SymmetryDesc.getKeyType("matrix");
t=24;break;case 1275068418:switch(s=JS.SymmetryDesc.getType(l),s){case 1145045003:s=JS.SymmetryDesc.getKeyType("matrix");t=24;break;case 1095241729:case 1153433601:case 1073741961:case 1073742001:case 134217751:case 1086326789:case 36868:case 1111492629:case 1073742078:j=s;break;default:s=JS.SymmetryDesc.getKeyType(l)}}var v=JS.SymmetryDesc.getInfoBS(s);21<t&&v.set(t);var A=-2==n,x=d,C=d,w=1073742066==p&&(1153433601==j||134217751==j)?k:null;null!=w&&(k=null);var z=x=null,y=null,t=null==b?3:b.getDimensionality();
if(null==k){if(null==e){y=A?b.getAdditionalOperations():b.getSymmetryOperations();if(null==y||Math.abs(d)>y.length||0==d)return r;x=Math.abs(d)-1;e=null==g?y[x].xyz:y[x].getxyzTrans(g);z=y[x].xyzOriginal}else x=d=0;var H=new JS.Symmetry;H.setSpaceGroup(!1);var F=null!=b&&b.isBio();k=F?H.addBioMoleculeOperation(b.getSpaceGroup().finalOperations[x],0>d):H.addSpaceGroupOperation((0>d?"!":"=")+(0<=e.indexOf("x")&&0>e.indexOf("z")?e+",z":e),Math.abs(d));if(0>k)return r;var G=H.getSpaceGroupOperation(k);
B&&(G.iCoincident=y[x].iCoincident);A&&(G.isIrrelevant=y[x].isIrrelevant);null!=z&&(G.xyzOriginal=z,G.timeReversal=y[x].timeReversal,G.spinU=y[x].spinU);G.number=0==d?C:d;F||G.getCentering();null==h&&0<=c&&(h=this.modelSet.at[c]);if(134217751==j||1153433601==j){if(F||null==h)return r;H.setUnitCell(b);JS.SymmetryDesc.ptemp.setT(h);b.toFractional(JS.SymmetryDesc.ptemp,!1);if(Float.isNaN(JS.SymmetryDesc.ptemp.x))return r;s=new JU.P3;H.newSpaceGroupPoint(JS.SymmetryDesc.ptemp,k,null,0,0,0,s);1073742066==
p&&(b.unitize(s),s.add(w));H.toCartesian(s,!1);return 1153433601==j?this.getAtom(b,a,c,s):s}x=this.createInfoArray(G,b,h,null,null==l||l.equals("array")?"sym_":l,m,p,null!=g,v,B,A,t);1275068418==j&&(null!=l&&-11!=s)&&(s=JS.SymmetryDesc.getKeyType(l))}else{A="info";w=!1;switch(j){case 1275068418:-11!=s&&(s=JS.SymmetryDesc.getKeyType(l));l=A=null;0==n&&(n=-1);break;case 1073742001:l=A=null;0==n&&(n=-1);w=!0;v.set(22);v.set(0);v.set(19);break;case 135176:null==l&&(l=B?"sg":"sym_");A="all";w=!0;break;
case 1153433601:l=A=null;default:0==n&&(n=1)}p=this.getSymopInfoForPoints(b,a,d,g,h,k,l,A,m,n,p,v);if(w)return p;if("string"==typeof p)return r;x=p;if(1153433601==j)return!I(h,"JM.Atom")&&!I(k,"JM.Atom")&&(c=-1),null==x?r:this.getAtom(b,a,c,x[7])}if(null==x)return r;a=0<x.length&&I(x[0],Array);if(0>n&&0>=d&&null==e&&(1275068418==j||a)){1275068418==j&&(0<x.length&&!I(x[0],Array))&&(x=X(-1,[x]));a=new JU.Lst;for(k=0;k<x.length;k++)a.addLast(JS.SymmetryDesc.getInfo(x[k],0>s?s:j,t));return a}if(0>s&&
(0<=n||0<d||null!=e))j=s;0<n&&a&&(x=x[0]);135176==j&&(B&&-2==n)&&(j=134217764);return JS.SymmetryDesc.getInfo(x,j,t)},"~N,~N,J.api.SymmetryInterface,~S,~N,JU.P3,JU.P3,JU.P3,~S,~N,~N,~N,~N,~B");d(b,"getAtom",function(a,c,b,e){var d=null;0<=b&&this.modelSet.getAtomBitsMDa(1094715402,Integer.$valueOf(this.modelSet.at[b].getElementNumber()),d=new JU.BS);b=new JU.BS;this.modelSet.getAtomsWithin(0.02,e,b,c);null!=d&&b.and(d);b.isEmpty()&&(e=JU.P3.newP(e),a.toUnitCell(e,null),a.toCartesian(e,!1),this.modelSet.getAtomsWithin(0.02,
e,b,c),null!=d&&b.and(d));return b},"J.api.SymmetryInterface,~N,~N,JU.T3");b.ptemp=new JU.P3;b.ptemp2=new JU.P3;b.pta01=new JU.P3;b.pta02=new JU.P3;b.vtrans=new JU.V3;b.keys=X(-1,["xyz","xyzOriginal","label",null,"fractionalTranslation","cartesianTranslation","inversionCenter",null,"axisVector","rotationAngle","matrix","unitTranslation","centeringVector","timeReversal","plane","_type","id","cif2","xyzCanonical","xyzNormalized","spin"])});V("JS");da(["JU.SimpleUnitCell","JU.P3","JV.JC"],"JS.UnitCell",
"java.util.Hashtable JU.AU $.Lst $.M3 $.M4 $.P4 $.PT $.Quat $.V3 J.api.Interface JS.Symmetry JU.BoxInfo $.Escape".split(" "),function(){var b=L(function(){this.moreInfo=null;this.name="";this.fractionalOffset=this.vertices=null;this.allFractionalRelative=!1;this.f2c=this.unitCellMultiplied=this.unitCellMultiplier=this.cartesianOffset=null;Q(this,arguments)},JS,"UnitCell",JU.SimpleUnitCell,Cloneable);la(b,function(){this.cartesianOffset=new JU.P3});b.fromOABC=d(b,"fromOABC",function(a,c){var b=new JS.UnitCell;
3==a.length&&(a=X(-1,[new JU.P3,a[0],a[1],a[2]]));var e=C(-1,[-1,0,0,0,0,0,a[1].x,a[1].y,a[1].z,a[2].x,a[2].y,a[2].z,a[3].x,a[3].y,a[3].z]);b.init(e);b.allFractionalRelative=c;b.initUnitcellVertices();b.setCartesianOffset(a[0]);return b},"~A,~B");b.fromParams=d(b,"fromParams",function(a,c,b){var e=new JS.UnitCell;e.init(a);e.initUnitcellVertices();e.allFractionalRelative=c;e.setPrecision(b);26<a.length&&(a[26]=b);return e},"~A,~B,~N");b.cloneUnitCell=d(b,"cloneUnitCell",function(a){var c=null;try{c=
a.clone()}catch(b){if(!ha(b,"CloneNotSupportedException"))throw b;}return c},"JS.UnitCell");d(b,"checkDistance",function(a,c,b,e,d,g,h,k){a=JU.P3.newP(a);this.toCartesian(a,!0);for(var l=-d;l<=d;l++)for(var j=-g;j<=g;j++)for(var m=-h;m<=h;m++){k.set(c.x+l,c.y+j,c.z+m);this.toCartesian(k,!0);var n=a.distance(k);if(0<e?Math.abs(n-b)<=e:n<=b&&0.1<n)return k.set(l,j,m),!0}return!1},"JU.P3,JU.P3,~N,~N,~N,~N,~N,JU.P3");d(b,"checkPeriodic",function(a){switch(this.dimension){case 3:if(a.z<-this.slop||a.z>
1-this.slop)return!1;case 2:if(a.y<-this.slop||a.y>1-this.slop)return!1;case 1:if(a.x<-this.slop||a.x>1-this.slop)return!1}return!0},"JU.P3");d(b,"dumpInfo",function(a,c){var b=c?this.getUnitCellMultiplied():this;return b!==this?b.dumpInfo(a,!1):"a="+this.a+", b="+this.b+", c="+this.c+", alpha="+this.alpha+", beta="+this.beta+", gamma="+this.gamma+"\noabc="+JU.Escape.eAP(this.getUnitCellVectors())+"\nvolume="+this.volume+(a?"\nfractional to cartesian: "+this.matrixFractionalToCartesian+"\ncartesian to fractional: "+
this.matrixCartesianToFractional:"")},"~B,~B");d(b,"fix000",function(a){return 0.001>Math.abs(a)?0:a},"~N");d(b,"fixFloor",function(a){return 1==a?0:a},"~N");d(b,"getCanonicalCopy",function(a,c){var b=this.getScaledCell(c);return JU.BoxInfo.getCanonicalCopy(b,a)},"~N,~B");d(b,"getCanonicalCopyTrimmed",function(a,c){var b=this.getScaledCellMult(a,!0);return JU.BoxInfo.getCanonicalCopy(b,c)},"JU.P3,~N");d(b,"getCartesianOffset",function(){return this.cartesianOffset});d(b,"getCellWeight",function(a){var c=
1;if(a.x<=this.slop||a.x>=1-this.slop)c/=2;if(a.y<=this.slop||a.y>=1-this.slop)c/=2;if(a.z<=this.slop||a.z>=1-this.slop)c/=2;return c},"JU.P3");d(b,"getConventionalUnitCell",function(a,c){var b=this.getUnitCellVectors();(!a.equals("P")||null!=c)&&this.toFromPrimitive(!1,a.charAt(0),b,c);return b},"~S,JU.M3");d(b,"getEquivPoints",function(a,c,b,e,d,g,h,k){var l=0<=c.indexOf("fromfractional"),j=0<=c.indexOf("tofractional");c=0<=c.indexOf("packed");null==e&&(e=new JU.Lst);a=JU.P3.newP(a);l||this.toFractional(a,
!0);var l=e.size(),m=0!=(k&1),n=0!=(k&2);k=0!=(k&4);for(var p=0,B=b.length;p<B;p++){var s=JU.P3.newP(a);b[p].rotTrans(s);m&&(s.x=this.fixFloor(s.x-F(Math.floor(s.x))));n&&(s.y=this.fixFloor(s.y-F(Math.floor(s.y))));k&&(s.z=this.fixFloor(s.z-F(Math.floor(s.z))));e.addLast(s);l++}if(c){if(!k){b=JU.P3.new3(0,0,0.5);for(p=g;p<l;p++)e.get(p).add(b)}if(!n){b=JU.P3.new3(0,0.5,0);for(p=g;p<l;p++)e.get(p).add(b)}if(!m){b=JU.P3.new3(0.5,0,0);for(p=g;p<l;p++)e.get(p).add(b)}for(p=g;p<l;p++)a.setT(e.get(p)),
this.unitizeRnd(a),0==a.x&&(e.addLast(JU.P3.new3(0,a.y,a.z)),e.addLast(JU.P3.new3(1,a.y,a.z)),0==a.y&&(e.addLast(JU.P3.new3(1,1,a.z)),e.addLast(JU.P3.new3(0,0,a.z)),0==a.z&&(e.addLast(JU.P3.new3(1,1,1)),e.addLast(JU.P3.new3(0,0,0))))),0==a.y&&(e.addLast(JU.P3.new3(a.x,0,a.z)),e.addLast(JU.P3.new3(a.x,1,a.z)),0==a.z&&(e.addLast(JU.P3.new3(a.x,0,0)),e.addLast(JU.P3.new3(a.x,1,1)))),0==a.z&&(e.addLast(JU.P3.new3(a.x,a.y,0)),e.addLast(JU.P3.new3(a.x,a.y,1)),0==a.x&&(e.addLast(JU.P3.new3(0,a.y,0)),e.addLast(JU.P3.new3(1,
a.y,1))));l=e.size();if(!m){b=JU.P3.new3(-0.5,0,0);for(p=g;p<l;p++)e.get(p).add(b)}if(!n){l=e.size();b=JU.P3.new3(0,-0.5,0);for(p=g;p<l;p++)e.get(p).add(b)}if(!k){l=e.size();b=JU.P3.new3(0,0,-0.5);for(p=g;p<l;p++)e.get(p).add(b)}}JS.UnitCell.removeDuplicates(e,d,h,-1);if(!j)for(p=e.size();--p>=g;)this.toCartesian(e.get(p),!0);return e},"JU.P3,~S,~A,JU.Lst,~N,~N,~N,~N");d(b,"getFractionalOffset",function(){return this.fractionalOffset});d(b,"getInfo",function(){var a=this.getUnitCellMultiplied();if(a!==
this)return a.getInfo();a=new java.util.Hashtable;a.put("params",this.unitCellParams);a.put("oabc",this.getUnitCellVectors());a.put("volume",Float.$valueOf(this.volume));a.put("matFtoC",this.matrixFractionalToCartesian);a.put("matCtoF",this.matrixCartesianToFractional);return a});d(b,"getQuaternionRotation",function(a){var c=JU.V3.newVsub(this.vertices[4],this.vertices[0]),b=JU.V3.newVsub(this.vertices[2],this.vertices[0]),e=JU.V3.newVsub(this.vertices[1],this.vertices[0]),d=new JU.P3,g=new JU.P3,
h="-"==a.charAt(0)?-1:1;0>h&&(a=a.substring(1));var k=a;a=JU.PT.rep(JU.PT.rep(JU.PT.rep(JU.PT.rep(JU.PT.rep(JU.PT.rep(a,"ab","A"),"bc","B"),"ca","C"),"ba","D"),"cb","E"),"ac","F");var l=(k=!k.equals(a))?1:0;2==a.length&&(l=a.charAt(1).charCodeAt(0)-48,a=a.substring(0,1));var j=0==l%2;switch("abcABCDEF".indexOf(a)){case 7:h=-h;case 4:c.cross(e,b),l=(5-l)%4+1;default:a=c;c=e;break;case 8:h=-h;case 5:h=-h,b.cross(e,c),l=(2+l)%4+1;case 1:a=b;b=e;h=-h;break;case 3:h=-h;case 6:e.cross(c,b),j&&(l=6-l);case 2:a=
e,!k&&0<l&&(l=5-l)}0<l&&0<h!=j&&(c=b,a.scale(-1));switch(l){case 2:a.scale(-1);c.scale(-1);break;case 3:c.scale(-1);break;case 4:a.scale(-1)}d.cross(a,c);g.cross(d,a);return JU.Quat.getQuaternionFrame(null,g,d).inv()},"~S");d(b,"getScaledCell",function(a){return this.getScaledCellMult(null,a)},"~B");d(b,"getScaledCellMult",function(a,c){var b=Array(8),e=null,d=null,g=null!=a;g||(a=this.unitCellMultiplier);c&&(null!=a&&0==a.z)&&(e=new JU.P3,d=new JU.P3,JU.SimpleUnitCell.ijkToPoint3f(z(a.x),e,0,0),
JU.SimpleUnitCell.ijkToPoint3f(z(a.y),d,0,0),d.sub(e));for(var h=g||null==a||0==a.z?1:Math.abs(a.z),k=0;8>k;k++){var l=b[k]=JU.P3.newP(JU.BoxInfo.unitCubePoints[k]);null!=e?b[k].add3(e.x+d.x*l.x,e.y+d.y*l.y,e.z+d.z*l.z):g&&l.scaleT(a);b[k].scale(h);this.matrixFractionalToCartesian.rotTrans(l);c||l.sub(this.cartesianOffset)}return b},"JU.T3,~B");d(b,"getState",function(){var a="";null!=this.fractionalOffset&&0!=this.fractionalOffset.lengthSquared()&&(a+="  unitcell offset "+JU.Escape.eP(this.fractionalOffset)+
";\n");null!=this.unitCellMultiplier&&(a+="  unitcell range "+JU.SimpleUnitCell.escapeMultiplier(this.unitCellMultiplier)+";\n");return a});d(b,"getTensor",function(a,c){var b=J.api.Interface.getUtil("Tensor",a,"file");if(0==c[0]&&0==c[1]&&0==c[2]){var e=c[7],d=C(-1,[e,e,e]);return b.setFromEigenVectors(JS.UnitCell.unitVectors,d,"iso","Uiso="+e,null)}b.parBorU=c;var e=La(6,0),g=z(c[6]);if(12==g)e[0]=19.739208802178716*c[0],e[1]=19.739208802178716*c[1],e[2]=19.739208802178716*c[2],e[3]=39.47841760435743*
c[3],e[4]=39.47841760435743*c[4],e[5]=39.47841760435743*c[5],c[7]=(c[0]+c[1]+c[3])/3;else{var d=4==g||5==g||8==g||9==g,h=2-g%2,k=8==g||9==g||10==g?19.739208802178716:4==g||5==g?0.25:2==g||3==g?Math.log(2):1,g=c[0]*k*(d?this.a_*this.a_:1),l=c[1]*k*(d?this.b_*this.b_:1),j=c[2]*k*(d?this.c_*this.c_:1),m=c[3]*k*(d?this.a_*this.b_:1)*h,n=c[4]*k*(d?this.a_*this.c_:1)*h,d=c[5]*k*(d?this.b_*this.c_:1)*h;c[7]=Math.pow(g/19.739208802178716/this.a_/this.a_*l/19.739208802178716/this.b_/this.b_*j/19.739208802178716/
this.c_/this.c_,0.3333);e[0]=this.a*this.a*g+this.b*this.b*this.cosGamma*this.cosGamma*l+this.c*this.c*this.cosBeta*this.cosBeta*j+this.a*this.b*this.cosGamma*m+this.b*this.c*this.cosGamma*this.cosBeta*d+this.a*this.c*this.cosBeta*n;e[1]=this.b*this.b*this.sinGamma*this.sinGamma*l+this.c*this.c*this.cA_*this.cA_*j+this.b*this.c*this.cA_*this.sinGamma*d;e[2]=this.c*this.c*this.cB_*this.cB_*j;e[3]=2*this.b*this.b*this.cosGamma*this.sinGamma*l+2*this.c*this.c*this.cA_*this.cosBeta*j+this.a*this.b*this.sinGamma*
m+this.b*this.c*(this.cA_*this.cosGamma+this.sinGamma*this.cosBeta)*d+this.a*this.c*this.cA_*n;e[4]=2*this.c*this.c*this.cB_*this.cosBeta*j+this.b*this.c*this.cosGamma*d+this.a*this.c*this.cB_*n;e[5]=2*this.c*this.c*this.cA_*this.cB_*j+this.b*this.c*this.cB_*this.sinGamma*d}return b.setFromThermalEquation(e,JU.Escape.eAF(c))},"JV.Viewer,~A");d(b,"getUnitCellMultiplied",function(){if(null==this.unitCellMultiplier||0<this.unitCellMultiplier.z&&this.unitCellMultiplier.z==z(this.unitCellMultiplier.z))return this;
if(null==this.unitCellMultiplied){var a=JU.BoxInfo.toOABC(this.getScaledCell(!0),null);this.unitCellMultiplied=JS.UnitCell.fromOABC(a,!1)}return this.unitCellMultiplied});d(b,"getUnitCellMultiplier",function(){return this.unitCellMultiplier});d(b,"isStandard",function(){return null==this.unitCellMultiplier||this.unitCellMultiplier.x==this.unitCellMultiplier.y});d(b,"getUnitCellVectors",function(){var a=this.matrixFractionalToCartesian;return X(-1,[JU.P3.newP(this.cartesianOffset),JU.P3.new3(this.fix000(a.m00),
this.fix000(a.m10),this.fix000(a.m20)),JU.P3.new3(this.fix000(a.m01),this.fix000(a.m11),this.fix000(a.m21)),JU.P3.new3(this.fix000(a.m02),this.fix000(a.m12),this.fix000(a.m22))])});b.toTrm=d(b,"toTrm",function(a,c){null==c&&(c=new JU.M4);JS.UnitCell.getMatrixAndUnitCell(null,null,a,c);return c},"~S,JU.M4");b.getMatrixAndUnitCell=d(b,"getMatrixAndUnitCell",function(a,c,b,e){null==b&&(b="a,b,c");var d=Array(4),g=d[0]=JU.P3.new3(0,0,0);d[1]=JU.P3.new3(1,0,0);d[2]=JU.P3.new3(0,1,0);d[3]=JU.P3.new3(0,
0,1);var h=new JU.M3;if(JU.AU.isAD(b))return JU.SimpleUnitCell.setAbcFromParams(b,d);var k="string"==typeof b;k&&0<=b.indexOf("(")&&(b=JU.SimpleUnitCell.parseSimpleMath(a,b));if(k&&"["==b.charAt(0)){b=JU.Escape.unescapeMatrix(b);if(I(b,"JU.M3"))b=JU.M4.newMV(b,new JU.P3);else if(!I(b,"JU.M4"))return null;null!=e&&(e.setM4(b),e=null);k=!1}if(k){var l=b,j,m=null;if(0==l.indexOf("a="))return JU.SimpleUnitCell.setAbc(l,null,d);if(0<l.indexOf(">")){if(null!=c||null==e)return null;c=l.$plit(">");e.setIdentity();
g=new JU.M4;for(a=c.length;0<=--a;)JS.UnitCell.getMatrixAndUnitCell(null,null,c[a],g),e.mul2(g,e);return d}b=Array(1);k=l.indexOf(";");0<=k?(j=l.substring(k+1).trim(),l=l.substring(0,k),b[0]=l,m=JS.UnitCell.fixABC(b),l!==b[0]&&(l=b[0])):l.equals("a,b,c")?j=null:(0<l.indexOf("w")&&(l=l.$replace("u","x").$replace("v","y").$replace("w","z")),b[0]=l,j=JS.UnitCell.fixABC(b),l=b[0]);for(l+=";0,0,0";l.startsWith("!!");)l=l.substring(2);(b=l.startsWith("!"))&&(l=l.substring(1));l.equals("r;0,0,0")?l="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"+
l.substring(1):l.equals("h;0,0,0")&&(l="a-b,b-c,a+b+c"+l.substring(1));if((k=0>l.indexOf("x")&&(0<=l.indexOf("a")||0<=l.indexOf("b")||0<=l.indexOf("c")))&&0<=l.indexOf("*")&&null!=c)j=JU.M4.newM4(null),m=JS.UnitCell.getMatrixAndUnitCell(a,c,"a,b,c",j),JS.UnitCell.getMatrixAndUnitCell(a,null,l.$replace("*"," "),j),l=mb(-1,[0<=l.indexOf("a*"),0<=l.indexOf("b*"),0<=l.indexOf("c*")]),a=JU.M4.newM4(null),JS.UnitCell.adjustForReciprocal(c,m,j,l,a,d),c=null;else{var n=new JS.Symmetry;n.setSpaceGroup(!1);
a=n.addSpaceGroupOperation("="+l,0);if(0>a)return null;a=n.getSpaceGroupOperation(a);a.isFinalized&&System.out.println("OHOH");a.doFinalize();l=new JU.P3;JS.UnitCell.addTrans(j,l);JS.UnitCell.addTrans(m,l);a.setTranslation(l)}k&&a.transpose33();b&&a.invert();null!=e&&e.setM4(a);if(null==c)return d}else{if(null!=e||null==c)return null;if(I(b,"JU.M3"))a=JU.M4.newMV(b,new JU.P3);else if(I(b,"JU.M4"))a=b;else{a=b[0];a.getRotationScale(h);a.rotTrans(g);c.toCartesian(g,!1);for(a=1;4>a;a++)h.rotate(d[a]),
c.toCartesian(d[a],!0);return d}}a.getRotationScale(h);a.getTranslation(g);c.toCartesian(g,!1);for(a=1;4>a;a++)h.rotate(d[a]),c.toCartesian(d[a],!0);return d},"JV.Viewer,JU.SimpleUnitCell,~O,JU.M4");b.adjustForReciprocal=d(b,"adjustForReciprocal",function(a,c,b,e,d,g){var h=Array(4);JU.SimpleUnitCell.getReciprocal(c,h,1);for(var k=new JU.P3,l=C(4,0),j=1;3>=j;j++){var m=new JU.P3;b.getColumn(j-1,l);for(var n=0;3>n;n++)0!=l[n]&&m.scaleAdd2(l[n],e[n]?h[1+n]:c[1+n],m);g[j]=m;k.setP(m);a.toFractional(k,
!0);d.setColumn4(j-1,JS.UnitCell.fixZero(k.x,1E-10),JS.UnitCell.fixZero(k.y,1E-10),JS.UnitCell.fixZero(k.z,1E-10),0)}},"JU.SimpleUnitCell,~A,JU.M4,~A,JU.M4,~A");b.fixZero=d(b,"fixZero",function(a,c){return Math.abs(a)<c?0:a},"~N,~N");b.addTrans=d(b,"addTrans",function(a,c){if(null!=a){var b=JU.PT.split(a,","),e=C(3,0);if(3==b.length)for(var d=0;3>d;d++){var g=b[d],h=g.indexOf("/");e[d]=0<=h?JU.PT.parseFloat(g.substring(0,h))/JU.PT.parseFloat(g.substring(h+1)):JU.PT.parseFloat(g)}c.add3(e[0],e[1],
e[2])}},"~S,JU.P3");b.fixABC=d(b,"fixABC",function(a){var c=JU.PT.split(a[0],",");if(3!=c.length)return null;for(var b="",e="",d=!1,g=0;3>g;g++){var h=c[g],k,l=0;for(k=h.length;0<=--k;){var j=h.charAt(k);switch(j.charCodeAt(0)){default:"a"<=j&&(k=0);break;case 43:l=1;case 45:k=-k}}k=-1-k;0==k?(b+=",0",e+=","+h):(d=!0,b+=","+h.substring(k+l),e+=","+h.substring(0,k))}a[0]=e.substring(1);return d?b.substring(1):null},"~A");d(b,"getVertices",function(){return this.vertices});d(b,"hasOffset",function(){return null!=
this.fractionalOffset&&0!=this.fractionalOffset.lengthSquared()});d(b,"initOrientation",function(a){if(null!=a){var c=new JU.M4;c.setToM3(a);this.matrixFractionalToCartesian.mul2(c,this.matrixFractionalToCartesian);this.matrixCartesianToFractional.setM4(this.matrixFractionalToCartesian).invert();this.initUnitcellVertices()}},"JU.M3");d(b,"initUnitcellVertices",function(){if(null!=this.matrixFractionalToCartesian){this.matrixCtoFNoOffset=JU.M4.newM4(this.matrixCartesianToFractional);this.matrixFtoCNoOffset=
JU.M4.newM4(this.matrixFractionalToCartesian);this.vertices=Array(8);for(var a=8;0<=--a;)this.vertices[a]=this.matrixFractionalToCartesian.rotTrans2(JU.BoxInfo.unitCubePoints[a],new JU.P3)}});d(b,"isSameAs",function(a){if(null==a)return!1;for(var c=this.getF2C(),b=0;3>b;b++)for(var e=0;4>e;e++)if(!JU.SimpleUnitCell.approx0(c[b][e]-a[b][e]))return!1;return!0},"~A");d(b,"getF2C",function(){if(null==this.f2c){this.f2c=C(3,4,0);for(var a=0;3>a;a++)this.matrixFractionalToCartesian.getRow(a,this.f2c[a])}return this.f2c});
d(b,"isWithinUnitCell",function(a,c,b,e){switch(this.dimension){case 3:if(e.z<b-1-this.slop||e.z>b+this.slop)return!1;case 2:if(e.y<c-1-this.slop||e.y>c+this.slop)return!1;case 1:if(e.x<a-1-this.slop||e.x>a+this.slop)return!1}return!0},"~N,~N,~N,JU.P3");d(b,"setCartesianOffset",function(a){this.cartesianOffset.setT(a);this.matrixFractionalToCartesian.m03=this.cartesianOffset.x;this.matrixFractionalToCartesian.m13=this.cartesianOffset.y;this.matrixFractionalToCartesian.m23=this.cartesianOffset.z;a=
this.hasOffset();this.fractionalOffset=JU.P3.newP(this.cartesianOffset);this.matrixCartesianToFractional.rotate(this.fractionalOffset);this.matrixCartesianToFractional.m03=-this.fractionalOffset.x;this.matrixCartesianToFractional.m13=-this.fractionalOffset.y;this.matrixCartesianToFractional.m23=-this.fractionalOffset.z;this.allFractionalRelative&&(this.matrixCtoFNoOffset.setM4(this.matrixCartesianToFractional),this.matrixFtoCNoOffset.setM4(this.matrixFractionalToCartesian));!a&&0==this.fractionalOffset.lengthSquared()&&
(this.fractionalOffset=null);this.f2c=null},"JU.T3");d(b,"setOffset",function(a){if(null!=a){this.unitCellMultiplied=null;var c=I(a,"JU.T4")?a:null,b=null==c?1.4E-45:c.w,e=999999<b;if(null!=c?0>=b||e:100<=a.x||100<=a.y)if(this.unitCellMultiplier=0==a.z&&a.x==a.y&&!e?null:e?JU.P4.newPt(c):JU.P3.newP(a),this.unitCellMultiplied=null,null==c||0==c.w||e)return;if(this.hasOffset()||0<a.lengthSquared())this.fractionalOffset=JU.P3.newP(a);this.matrixCartesianToFractional.m03=-a.x;this.matrixCartesianToFractional.m13=
-a.y;this.matrixCartesianToFractional.m23=-a.z;this.cartesianOffset.setT(a);this.matrixFractionalToCartesian.rotate(this.cartesianOffset);this.matrixFractionalToCartesian.m03=this.cartesianOffset.x;this.matrixFractionalToCartesian.m13=this.cartesianOffset.y;this.matrixFractionalToCartesian.m23=this.cartesianOffset.z;this.allFractionalRelative&&(this.matrixCtoFNoOffset.setM4(this.matrixCartesianToFractional),this.matrixFtoCNoOffset.setM4(this.matrixFractionalToCartesian));this.f2c=null}},"JU.T3");
d(b,"toFromPrimitive",function(a,c,b,e){var d=b.length-3,g=null;if("r"==c||null==e){switch(c.charCodeAt(0)){default:return!1;case 114:return JU.SimpleUnitCell.getReciprocal(b,b,1),!0;case 80:a=!0;case 65:case 66:case 67:case 82:case 73:case 70:g=JS.UnitCell.getPrimitiveTransform(c)}a||g.invert()}else g=JU.M3.newM3(e),a&&g.invert();for(a=b.length;--a>=d;)c=b[a],this.toFractional(c,!0),g.rotate(c),this.toCartesian(c,!0);return!0},"~B,~S,~A,JU.M3");b.getPrimitiveTransform=d(b,"getPrimitiveTransform",
function(a){switch(a.charCodeAt(0)){case 80:return JU.M3.newA9(C(-1,[1,0,0,0,1,0,0,0,1]));case 65:return JU.M3.newA9(C(-1,[1,0,0,0,0.5,0.5,0,-0.5,0.5]));case 66:return JU.M3.newA9(C(-1,[0.5,0,0.5,0,1,0,-0.5,0,0.5]));case 67:return JU.M3.newA9(C(-1,[0.5,0.5,0,-0.5,0.5,0,0,0,1]));case 82:return JU.M3.newA9(C(-1,[0.6666667,-0.33333334,-0.33333334,0.33333334,0.33333334,-0.6666667,0.33333334,0.33333334,0.33333334]));case 73:return JU.M3.newA9(C(-1,[-0.5,0.5,0.5,0.5,-0.5,0.5,0.5,0.5,-0.5]));case 70:return JU.M3.newA9(C(-1,
[0,0.5,0.5,0.5,0,0.5,0.5,0.5,0]))}return null},"~S");d(b,"toUnitCell",function(a,c){null!=this.matrixCartesianToFractional&&(null==c?(this.matrixCartesianToFractional.rotTrans(a),this.unitize(a),this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitize(a),a.add(c),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");d(b,"toUnitCellRnd",function(a,c){null!=this.matrixCartesianToFractional&&(null==c?(this.matrixCartesianToFractional.rotTrans(a),this.unitizeRnd(a),
this.matrixFractionalToCartesian.rotTrans(a)):(this.matrixCtoFNoOffset.rotTrans(a),this.unitizeRnd(a),a.add(c),this.matrixFtoCNoOffset.rotTrans(a)))},"JU.T3,JU.T3");d(b,"unitize",function(a){this.unitizeDim(this.dimension,a)},"JU.T3");d(b,"unitizeRnd",function(a){JU.SimpleUnitCell.unitizeDimRnd(this.dimension,a,this.slop)},"JU.T3");b.removeDuplicates=d(b,"removeDuplicates",function(a,c,b,e){for(0>e&&(e=a.size());c<e;c++)for(var d=a.get(c),g=Math.max(c+1,b);g<e;g++)1.96E-6>a.get(g).distanceSquared(d)&&
(a.removeItemAt(g),e--,g--)},"JU.Lst,~N,~N,~N");d(b,"getCenter",function(a){var c=new JU.P3,b=this.getCartesianOffset(),e=this.getVertices(),d;switch(a){default:case 7:a=8;d=1;break;case 3:a=8;d=2;break;case 4:a=2;d=1;break;case 2:a=3;d=2;break;case 1:a=8,d=4}for(var g=0,h=0;h<a;h+=d)c.add(e[h]),c.add(b),g++;c.scale(1/g);return c},"~N");d(b,"setSpinAxisAngle",function(a){null==this.moreInfo&&(this.moreInfo=new JU.Lst);for(var c="rotation_axis_xyz=",b=-1,e=-1,d=this.moreInfo.size();0<=--d&&(0>b||0>
e);){var g=this.moreInfo.get(d);g.startsWith(c)?b=d:g.startsWith("rotation_angle=")&&(e=d)}d=JU.Quat.newAA(a);g=new JU.V3;null==JS.UnitCell.v0&&(JS.UnitCell.v0=JU.V3.new3(3.141592653589793,2.718281828459045,Math.sqrt(2)));g=d.getNormalDirected(JS.UnitCell.v0);JU.V3.newV(a);this.toFractional(g,!0);g.normalize();a=this.getAxisMultiplier(g);c+=""+Math.round(g.x*a)+","+Math.round(g.y*a)+","+Math.round(g.z*a);0>b?(this.moreInfo.addLast(c),e>b&&e++):this.moreInfo.set(b,c);a=F(Math.round(1E3*d.getThetaDirectedV(JS.UnitCell.v0))/
1E3);c="rotation_angle="+(a==Math.round(a)?""+Math.round(a):JS.UnitCell.round000(a));0>e?this.moreInfo.addLast(c):this.moreInfo.set(e,c)},"JU.A4");d(b,"getAxisMultiplier",function(a){if(JS.UnitCell.approx00(a.x-Math.round(a.x))&&JS.UnitCell.approx00(a.y-Math.round(a.y))&&JS.UnitCell.approx00(a.z-Math.round(a.z)))return 1;var c=Math.min(JS.UnitCell.approx00(a.x)?1E4:Math.abs(a.x),JS.UnitCell.approx00(a.y)?1E4:Math.min(Math.abs(a.y),JS.UnitCell.approx00(a.z)?1E4:Math.abs(a.z)));return JS.UnitCell.approx01(a.x/
c)&&JS.UnitCell.approx01(a.y/c)&&JS.UnitCell.approx01(a.z/c)?1/c:1E3},"JU.V3");b.approx01=d(b,"approx01",function(a){a%=1;return JS.UnitCell.approx00(a)||0.999<Math.abs(a)},"~N");b.approx00=d(b,"approx00",function(a){return 0.001>Math.abs(a)},"~N");b.round000=d(b,"round000",function(a){a=Math.round(1E3*a)/1E3;return a==Math.round(a)?""+Math.round(a):""+a},"~N");d(b,"setMoreInfo",function(a){this.moreInfo=a},"JU.Lst");d(b,"getMoreInfo",function(){return this.moreInfo});b.unitVectors=X(-1,[JV.JC.axisX,
JV.JC.axisY,JV.JC.axisZ]);b.v0=null});V("JS");da(["J.api.AtomIndexIterator"],"JS.UnitCellIterator","JU.Lst $.P3 $.P3i JU.BoxInfo $.Logger $.Point3fi".split(" "),function(){var b=L(function(){this.translation=this.center=this.atoms=null;this.distance2=this.maxDistance2=this.nFound=0;this.p=this.t=this.maxXYZ=this.minXYZ=this.unitCell=null;this.ipt=-2147483648;this.unitList=null;this.done=!1;this.listPt=this.nAtoms=0;Q(this,arguments)},JS,"UnitCellIterator",null,J.api.AtomIndexIterator);d(b,"set",function(a,
c,b,e,d){this.unitCell=a;this.atoms=b;this.addAtoms(e);this.p=new JU.P3;0<d&&this.setCenter(c,d);return this},"J.api.SymmetryInterface,JM.Atom,~A,JU.BS,~N");m(b,"setModel",function(){},"JM.ModelSet,~N,~N,~N,JU.T3,~N,J.atomdata.RadiusData");m(b,"setCenter",function(a,c){if(0!=c){this.maxDistance2=c*c;this.center=a;this.translation=new JU.P3;var b=JU.BoxInfo.unitCubePoints,e=JU.P3.new3(3.4028235E38,3.4028235E38,3.4028235E38),d=JU.P3.new3(-3.4028235E38,-3.4028235E38,-3.4028235E38);this.p=new JU.P3;var g=
new JU.P3;g.setT(a);this.unitCell.toFractional(g,!0);for(g=0;8>g;g++)this.p.scaleAdd2(-2,b[g],b[7]),this.p.scaleAdd2(c,this.p,a),this.unitCell.toFractional(this.p,!0),e.x>this.p.x&&(e.x=this.p.x),d.x<this.p.x&&(d.x=this.p.x),e.y>this.p.y&&(e.y=this.p.y),d.y<this.p.y&&(d.y=this.p.y),e.z>this.p.z&&(e.z=this.p.z),d.z<this.p.z&&(d.z=this.p.z);this.minXYZ=JU.P3i.new3(F(Math.floor(e.x)),F(Math.floor(e.y)),F(Math.floor(e.z)));this.maxXYZ=JU.P3i.new3(F(Math.ceil(d.x)),F(Math.ceil(d.y)),F(Math.ceil(d.z)));
JU.Logger.debugging&&JU.Logger.info("UnitCellIterator minxyz/maxxyz "+this.minXYZ+" "+this.maxXYZ);this.t=JU.P3i.new3(this.minXYZ.x-1,this.minXYZ.y,this.minXYZ.z);this.nextCell()}},"JU.T3,~N");m(b,"addAtoms",function(a){this.done=null==a;if(!this.done){this.unitList=new JU.Lst;for(var c="",b=this.unitCell.getSymmetryOperations(),e=b.length,d=a.nextSetBit(0);0<=d;d=a.nextSetBit(d+1))for(var g=this.atoms[d],h=0;h<e;h++){var k=new JU.P3;k.setT(g);0<h?(this.unitCell.toFractional(k,!1),b[h].rotTrans(k),
this.unitCell.unitize(k),this.unitCell.toCartesian(k,!1)):this.unitCell.toUnitCell(k,null);var l="_"+z(100*k.x)+"_"+z(100*k.y)+"_"+z(100*k.z)+"_";0<=c.indexOf(l)||(c+=l,this.unitList.addLast(X(-1,[g,k])))}this.nAtoms=this.unitList.size();this.done=0==this.nAtoms;JU.Logger.debugging&&JU.Logger.info("UnitCellIterator "+this.nAtoms+" unique points found")}},"JU.BS");m(b,"hasNext",function(){for(;this.ipt<this.nAtoms||this.nextCell();)if(this.p.add2(this.unitList.get(this.listPt=this.ipt++)[1],this.translation),
(this.distance2=this.p.distanceSquared(this.center))<this.maxDistance2&&0.1<this.distance2)return this.nFound++,!0;return!1});d(b,"nextCell",function(){if(this.done)return!1;if(++this.t.x>=this.maxXYZ.x&&(this.t.x=this.minXYZ.x,++this.t.y>=this.maxXYZ.y&&(this.t.y=this.minXYZ.y,++this.t.z>=this.maxXYZ.z)))return this.done=!0,this.ipt=this.nAtoms,!1;this.translation.set(this.t.x,this.t.y,this.t.z);this.unitCell.toCartesian(this.translation,!1);this.ipt=0;return!0});m(b,"next",function(){return this.done||
0>this.ipt?-1:this.getAtom().i});d(b,"getAtom",function(){return this.unitList.get(this.listPt)[0]});m(b,"foundDistance2",function(){return 0<this.nFound?this.distance2:3.4028235E38});m(b,"getPosition",function(){var a=this.getAtom();JU.Logger.debugging&&JU.Logger.info("draw ID p_"+this.nFound+" "+this.p+" //"+a+" "+this.t);if(1E-4>this.p.distanceSquared(a))return a;var c=new JU.Point3fi;c.setT(this.p);c.i=a.i;c.sD=a.getElementNumber();return c});m(b,"release",function(){this.translation=this.center=
this.atoms=null})});V("JS");da(["java.util.Hashtable","JU.P3","$.V3"],"JS.WyckoffFinder","JU.Lst $.M4 $.Measure $.P4 $.PT $.SB JS.SpaceGroup $.Symmetry $.SymmetryOperation".split(" "),function(){var b=L(function(){this.positions=null;this.ncent=this.npos=0;this.gpos=this.centeringStr=this.centerings=null;Q(this,arguments)},JS,"WyckoffFinder",null);Z(b,function(a){if(null!=a){var b=a.get("gp");this.gpos=new JU.Lst;this.gpos.addAll(b);a=a.get("wpos");this.positions=a.get("pos");this.npos=this.positions.size();
a=a.get("cent");if(null!=a){this.ncent=a.size();this.centeringStr=Array(this.ncent);this.centerings=Array(this.ncent);for(b=this.ncent;0<=--b;){var e=a.get(b);this.centeringStr[b]=e;this.centerings[b]=JS.SymmetryOperation.toPoint(e,null)}}}},"java.util.Map");d(b,"getWyckoffFinder",function(a,b){var e=b.getClegId(),d=JS.WyckoffFinder.helpers.get(e);if(null!=d)return d;d=JS.WyckoffFinder.createHelper(a,e,b.groupType);null==d?(null==JS.WyckoffFinder.nullHelper&&(JS.WyckoffFinder.nullHelper=new JS.WyckoffFinder(null)),
JS.WyckoffFinder.helpers.put(e,JS.WyckoffFinder.nullHelper)):JS.WyckoffFinder.helpers.put(e,d);return d},"JV.Viewer,JS.SpaceGroup");d(b,"findPositionFor",function(a,b){if(null!=this.positions)for(var e=b.equals("G"),d=e?1:this.npos;0<=--d;){var g=this.positions.get(d),h=g.get("label");if(e||h.equals(b))return e=g.get("coord"),null!=e&&JS.WyckoffFinder.getWyckoffCoord(e,0,h).project(a),a}return null},"JU.P3,~S");d(b,"getInfo",function(a,b,e,d,g){a=this.createInfo(a,b,e,d,g);return null==a?"?":a},"JS.UnitCell,JU.P3,~N,~B,~B");
b.wrap=d(b,"wrap",function(a,b){return b.appendC("(").append(a).appendC(")")},"~S,JU.SB");d(b,"createInfo",function(a,b,e,d){switch(e){case 83:return this.getCenteringStr(-1," ",null).toString().trim();case 67:d=Array(this.centerings.length);for(var g=d.length;0<=--g;)d[g]=this.centerings[g];return d;case 42:var h=new JU.SB;this.getCenteringStr(-1,"+",h);for(g=this.npos;0<=--g;){var k=this.positions.get(g),l=(d?""+k.get("mult"):"")+k.get("label");h.appendC("\n").append(l);JS.WyckoffFinder.getList(0==
g?this.gpos:k.get("coord"),l,h,0==g?this.ncent:0)}return h.toString();case -4:d=Array(this.npos);for(g=0;g<this.npos;g++)k=this.positions.get(g),d[g]=this.findPositionFor(JU.P3.newP(b),k.get("label")),a.toCartesian(d[g],!1);return X(-1,[d,"AlB C D FeF GaHeI GeK LiMgN OsP CaRhS T U V W XeYbZnAm"]);case -1:case -2:case -3:for(g=this.npos;0<=--g;){k=this.positions.get(g);l=(d?""+k.get("mult"):"")+k.get("label");if(0==g)switch(e){case -1:return l;case -2:return"(x,y,z)";case -3:return a=new JU.SB,a.append(l).appendC(" "),
this.getCenteringStr(-1,"+",a).appendC(" "),JS.WyckoffFinder.getList(this.gpos,l,a,this.ncent),a.toString()}for(var h=k.get("coord"),k=0,j=h.size();k<j;k++){var m=JS.WyckoffFinder.getWyckoffCoord(h,k,l);if(m.contains(this,a,b))switch(e){case -1:return l;case -2:return m.asString(null,!0).toString();case -3:return a=new JU.SB,a.append(l).appendC(" "),this.getCenteringStr(-1,"+",a).appendC(" "),JS.WyckoffFinder.getList(h,l,a,0),a.toString()}}}break;default:j=""+String.fromCharCode(e);h=71==e;b=new JU.P3;
for(g=h?1:this.npos;0<=--g;)if(k=this.positions.get(g),l=k.get("label"),h||l.equals(j)){a=new JU.SB;h&&a.append(l).appendC(" ");h=0==g?this.gpos:k.get("coord");JS.WyckoffFinder.getList(h,(d?k.get("mult"):"")+j,a,0);if(0<g&&0<this.ncent){g=new JU.M4;for(d=0;d<this.ncent;d++)this.addCentering(h,this.centerings[d],g,b,a)}return a.toString()}}return null},"JS.UnitCell,JU.P3,~N,~B,~B");b.createHelper=d(b,"createHelper",function(a,b,e){var d=0<e?b.substring(2):b,g=d.indexOf(":"),d=JU.PT.parseInt(0>g?d:
d.substring(0,g));if(!JS.SpaceGroup.isInRange(d,e,!1,!1))return null;e=JS.Symmetry.getITJSONResource(a,e,d,null);if(null==e)return null;e=e.get("its");for(var g=null,h=!1,k=0,l=e.size();k<l;k++)if(g=e.get(k),b.equals(g.get("clegId"))){h=!0;break}if(!h||g.containsKey("more"))g=JS.SpaceGroup.fillMoreData(a,h?g:null,b,d,e.get(0));return new JS.WyckoffFinder(g)},"JV.Viewer,~S,~N");d(b,"getCenteringStr",function(a,b,e){null==e&&(e=new JU.SB);if(0==this.ncent)return e;if(0<=a)return e.appendC(b),JS.WyckoffFinder.wrap(this.centeringStr[a],
e);for(a=0;a<this.ncent;a++)e.appendC(b),JS.WyckoffFinder.wrap(this.centeringStr[a],e);return e},"~N,~S,JU.SB");b.getList=d(b,"getList",function(a,b,e,d){null==e&&(e=new JU.SB);d=0==d?a.size():F(a.size()/(d+1));for(var g=0;g<d;g++){var h=JS.WyckoffFinder.getWyckoffCoord(a,g,b);e.append(" ");h.asString(e,!1)}return e},"JU.Lst,~S,JU.SB,~N");d(b,"addCentering",function(a,b,e,d,g){for(var h=a.size(),k=0;k<h;k++){var l=a.get(k);g.append(" ");l.asStringCentered(b,e,d,g)}},"JU.Lst,JU.P3,JU.M4,JU.P3,JU.SB");
b.getWyckoffCoord=d(b,"getWyckoffCoord",function(a,b,e){var d=a.get(b);"string"==typeof d&&a.set(b,d=new JS.WyckoffFinder.WyckoffCoord(d,e));return d},"JU.Lst,~N,~S");var a=L(function(){this.type=0;this.label=this.xyz=null;this.thisCentering="";this.plane=this.line=this.point=this.op=null;Q(this,arguments)},JS.WyckoffFinder,"WyckoffCoord",null);Z(a,function(a,b){this.xyz=a;this.label=b;this.create(a)},"~S,~S");d(a,"asStringCentered",function(a,b,e,d){b.setM4(this.op);b.add(a);b.getTranslation(e);
e.x%=1;e.y%=1;e.z%=1;b.setTranslation(e);d.appendC(" ");a=","+JS.SymmetryOperation.getXYZFromMatrixFrac(b,!1,!0,!1,!0,!1,null)+",";a=JU.PT.rep(a,",,",",0,");a=JU.PT.rep(a,",+",",");d.appendC("(").append(a.substring(1,a.length-1)).appendC(")")},"JU.P3,JU.M4,JU.P3,JU.SB");d(a,"contains",function(a,b,e){var d=b.getPrecision();this.thisCentering=null;if(this.checkLatticePt(e,d))return!0;if(null==a.centerings)return!1;for(var g=a.centerings.length;0<=--g;)if(JS.WyckoffFinder.WyckoffCoord.pc.add2(e,a.centerings[g]),
b.unitize(JS.WyckoffFinder.WyckoffCoord.pc),this.checkLatticePt(JS.WyckoffFinder.WyckoffCoord.pc,d))return this.thisCentering=a.centeringStr[g],!0;return!1},"JS.WyckoffFinder,JS.UnitCell,JU.P3");d(a,"project",function(a){switch(this.type){case 1:a.setT(this.point);break;case 2:JU.Measure.projectOntoAxis(a,this.point,this.line,JS.WyckoffFinder.WyckoffCoord.vt);break;case 3:JU.Measure.getPlaneProjection(a,this.plane,JS.WyckoffFinder.WyckoffCoord.vt,JS.WyckoffFinder.WyckoffCoord.vt),a.setT(JS.WyckoffFinder.WyckoffCoord.vt)}},
"JU.P3");d(a,"asString",function(a,b){null==a&&(a=new JU.SB);JS.WyckoffFinder.wrap(this.xyz,a);b&&null!=this.thisCentering&&(a.appendC("+"),JS.WyckoffFinder.wrap(this.thisCentering,a));return a},"JU.SB,~B");d(a,"checkLatticePt",function(a,b){if(this.checkPoint(a,b))return!0;for(var e=62,d=-2;3>d;d++)for(var g=-2;3>g;g++)for(var h=-2;3>h;h++,e--)if(0!=e&&(JS.WyckoffFinder.WyckoffCoord.p3.set(d,g,h),JS.WyckoffFinder.WyckoffCoord.p3.add(a),this.checkPoint(JS.WyckoffFinder.WyckoffCoord.p3,b)))return System.out.println(this.label+
" "+this.xyz+" found for "+d+" "+g+" "+h),!0;return!1},"JU.P3,~N");d(a,"checkPoint",function(a,b){var e=1;switch(this.type){case 1:e=this.point.distance(a);break;case 2:JS.WyckoffFinder.WyckoffCoord.p1.setT(a);JU.Measure.projectOntoAxis(JS.WyckoffFinder.WyckoffCoord.p1,this.point,this.line,JS.WyckoffFinder.WyckoffCoord.vt);e=JS.WyckoffFinder.WyckoffCoord.p1.distance(a);break;case 3:e=Math.abs(JU.Measure.getPlaneProjection(a,this.plane,JS.WyckoffFinder.WyckoffCoord.vt,JS.WyckoffFinder.WyckoffCoord.vt))}return e<
b},"JU.P3,~N");d(a,"create",function(a){var b=(0<=a.indexOf("x")?1:0)+(0<=a.indexOf("y")?1:0)+(0<=a.indexOf("z")?1:0),e=C(16,0),d=JU.PT.split(this.xyz,",");JS.WyckoffFinder.WyckoffCoord.getRow(d[0],e,0);JS.WyckoffFinder.WyckoffCoord.getRow(d[1],e,4);JS.WyckoffFinder.WyckoffCoord.getRow(d[2],e,8);e[15]=1;this.op=JU.M4.newA16(e);switch(b){case 0:this.type=1;this.point=JS.SymmetryOperation.toPoint(a,null);break;case 1:this.type=2;JS.WyckoffFinder.WyckoffCoord.p1.set(0.19,0.53,0.71);this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p1);
JS.WyckoffFinder.WyckoffCoord.p2.set(0.51,0.27,0.64);this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p2);JS.WyckoffFinder.WyckoffCoord.p2.sub2(JS.WyckoffFinder.WyckoffCoord.p2,JS.WyckoffFinder.WyckoffCoord.p1);JS.WyckoffFinder.WyckoffCoord.p2.normalize();this.point=JU.P3.newP(JS.WyckoffFinder.WyckoffCoord.p1);this.line=JU.V3.newV(JS.WyckoffFinder.WyckoffCoord.p2);break;case 2:this.type=3,JS.WyckoffFinder.WyckoffCoord.p1.set(0.19,0.51,0.73),this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p1),JS.WyckoffFinder.WyckoffCoord.p2.set(0.23,
0.47,0.86),this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p2),JS.WyckoffFinder.WyckoffCoord.p3.set(0.1,0.2,0.3),this.op.rotTrans(JS.WyckoffFinder.WyckoffCoord.p3),this.plane=JU.Measure.getPlaneThroughPoints(JS.WyckoffFinder.WyckoffCoord.p1,JS.WyckoffFinder.WyckoffCoord.p2,JS.WyckoffFinder.WyckoffCoord.p3,null,null,new JU.P4)}},"~S");a.getRow=d(a,"getRow",function(a,b,e){a=JU.PT.rep(a,"-","+-");a=JU.PT.rep(a,"x","*x");a=JU.PT.rep(a,"y","*y");a=JU.PT.rep(a,"z","*z");a=JU.PT.rep(a,"-*","-");a=JU.PT.rep(a,
"+*","+");for(var d=JU.PT.split(a,"+"),g=d.length;0<=--g;)if(a=d[g],0!=a.length){var h=3;if(0<=a.indexOf("."))a=JU.PT.parseFloat(a),b[e+h]=a;else{var k=0,l=1;switch(a.charAt(0).charCodeAt(0)){case 45:l=-1;case 42:k++}for(var j=0,m=a.length,n=0;--m>=k;){var p=a.charAt(m);switch(p.charCodeAt(0)){case 120:h=0;j=1;break;case 121:j=h=1;break;case 122:h=2;j=1;break;case 47:n=1,j=1/j;case 42:l*=j;j=0;break;default:p="0123456789".indexOf(p),0>p&&System.err.println("WH ????"),0==j?j=p:(n=0==n?10:10*n,j+=n*
p)}}b[e+h]=l*j}}},"~S,~A,~N");m(a,"toString",function(){return this.asString(null,!1).toString()});a.p1=new JU.P3;a.p2=new JU.P3;a.p3=new JU.P3;a.pc=new JU.P3;a.vt=new JU.V3;b.nullHelper=null;b.helpers=new java.util.Hashtable});V("JS");da(["JU.M4"],"JS.CLEG","java.util.Arrays JU.AU $.BS $.P3 $.PT JS.SV JS.SpaceGroup $.UnitCell JV.Viewer".split(" "),function(){var b=$a(JS,"CLEG",null);b.standardizeTokens=d(b,"standardizeTokens",function(a,b){for(var e=a.length;0<=--e;){var d=a[e];if(0!=d.length){d=
JS.CLEG.cleanCleg000(d);if(d.endsWith(":h"))d.startsWith("R")||(d=d.substring(0,d.length-2));else if(b||!d.endsWith(":2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"))d.endsWith(":r")?d.startsWith("R")||(d=d.substring(0,d.length-1)+"2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c"):d.equals("r")?d="2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c":d.equals("h")&&(d="a-b,b-c,a+b+c");a[e]=d}}System.out.println("MK StandardizeTokens "+java.util.Arrays.toString(a))},"~A,~B");b.cleanCleg000=d(b,"cleanCleg000",
function(a){return a.endsWith(";0,0,0")?a.substring(0,a.length-6):a},"~S");b.isProbableClegSetting=d(b,"isProbableClegSetting",function(a){var b=a.indexOf(":"),e=JS.SpaceGroup.getExplicitSpecialGroupType(a);return 0<=e&&0<b&&0<JS.SpaceGroup.getITNo(0==e?a:a.substring(2),b)&&a.indexOf(",")>b?b:0},"~S");b.checkFullSyntax=d(b,"checkFullSyntax",function(a,b,e){for(var d=0;d<a.length;d++){var g=a[d].trim();if(!(null==g||0==g.length||g.startsWith("sub")||g.startsWith("super"))){var h=JS.SpaceGroup.getExplicitSpecialGroupType(g);
0<h&&(g=g.substring(2));var k=g.indexOf(":"),l=g.indexOf(",",k+1),j=g.indexOf("."),m=0<k&&l>k,n=g.indexOf("]"),n=0<n&&"["==g.charAt(0)&&(0>k||k==n+1)?1:JU.PT.parseFloatStrict(0<k?g.substring(0,k):g);if(Float.isNaN(n)){if(0<j||m)return!1}else if(!JS.SpaceGroup.isInRange(n,h,!m,e&&0==h))return!1;if(!(0>l)&&(g=0<k?g.substring(k+1):g,0==b.convertTransform(g,null).determinant3()))return!1}}return!0},"~A,J.api.SymmetryInterface,~B");b.getCalcType=d(b,"getCalcType",function(a){return 0==a.length||a.equals("sub")?
"sub":"s"!=a.charAt(0)?null:a.startsWith("sub(")?"sub(":a.equals("super")?"super":a.startsWith("super(")?"super(":null},"~S");b.isTransformOnly=d(b,"isTransformOnly",function(a){return JS.CLEG.isTransform(a,!1)&&0>a.indexOf(":")},"~S");b.isTransform=d(b,"isTransform",function(a,b){return 0==a.length||(0<a.indexOf(",")||0<="!r!h".indexOf(a))||b&&(a.endsWith(":r")||a.endsWith(":h"))},"~S,~B");d(b,"getMatrixTransform",function(a,b,e){0==b.length&&(b=".");0>b.indexOf(">")&&!b.equals(".")&&(b=">>"+b);
var d=JU.PT.split(b,">");0==d[0].length&&(d[0]="ref");var g=new JS.CLEG.ClegData(a.getSymTemp(),d),h=I(e,"java.util.Map")?e:null;e=null==h&&I(e,"JU.Lst")?e:null;g.setReturnMap(h);g.setReturnLst(e);a=JS.CLEG.assignSpaceGroup(g,new JS.CLEG.AssignedSGParams(a,b.equals(".")));if(0<a.indexOf("!"))return System.err.println(a),null!=h&&h.put("error",a),null;null==e&&null==h&&(System.out.println("CLEG transform: "+JU.PT.join(d,">",0)),b=g.abcFor(g.trMat),System.out.println("CLEG transform: "+d[0]+">"+b+">"+
d[d.length-1]));return g.trMat},"JV.Viewer,~S,~O");d(b,"transformSpaceGroup",function(a,b,e,d,g){var h=a.getCurrentUnitCell(),k=a.getOperativeSymmetry();null!=h&&k!==h&&k.getUnitCell(h.getV0abc(null,null),!1,"modelkit");if(null==e)return"!no CLEG id for this space group";0<=e.indexOf("<")&&(e=JU.PT.rep(e,"<<",">super>").$replace("<",">"));if(0==e.length||e.endsWith(">"))e+=".";h=new JS.CLEG.ClegData(a.getSymTemp(),JU.PT.split(e,">"));a=new JS.CLEG.AssignedSGParams(a,k,b,d,0,!1,g,e.equals("."));b=
JS.CLEG.assignSpaceGroup(h,a);if(b.endsWith("!"))return b;a.mkIsAssign&&g.append(b);return b},"JV.Viewer,JU.BS,~S,~O,JU.SB");b.assignSpaceGroup=d(b,"assignSpaceGroup",function(a,b){var e=b.vwr,d=b.mkIndex,g=a.tokens,h=0>d;h&&(d=0);if(d>=g.length)return"invalid CLEG expression!";var k=null!=b.mkParamsOrUC;if(1<g.length&&k)return"invalid syntax - can't mix transformations and UNITCELL option!";0==d&&!h&&JS.CLEG.standardizeTokens(g,!1);var l=d==g.length-1,j=g[d].trim(),m=j.equals("."),n=l?m:JS.CLEG.isTransformOnly(g[d+
1])&&0<g[d+1].length;if(0==d){if(0==j.length||m){if(null==b.mkSym00)return"no starting space group for CLEG!";if(!b.mkIsAssign)return g[0]=b.mkSym00.getSpaceGroupClegId(),b.mkIndex=m&&l?0:1,b.mkWasNode=1==b.mkIndex,b.mkIgnoreAllSettings=n,JS.CLEG.assignSpaceGroup(a,b)}if(b.mkIsAssign&&null==b.mkSym00)return"no starting space group for calculation!"}var p=null!=JS.CLEG.getCalcType(j);if((p||JS.CLEG.isTransformOnly(j))!=b.mkWasNode)return"invalid CLEG expression, not node>transform>node>transform>....!";
b.mkWasNode=!b.mkWasNode;var B=p?j:null;p&&(j=g[++d].trim(),l=d==g.length-1);l&&(m&&null!=a.getPrevNode())&&(j=a.getPrevNode().getCleanITAName());var s=j.lastIndexOf(":"),r=null==b.mkSym00,t=!1,v=JS.CLEG.isTransform(j,!1),A=v&&!(v&&0<=s),x=!1,z=!1,s=a.sym,v=null;if(!A&&(a.setSymmetry(s),v=new JS.CLEG.ClegNode(a,d,j),null!=a.errString))return a.errString;if(null==a.getPrevNode()){if(!JS.CLEG.checkFullSyntax(g,s,JS.CLEG.allow300))return"invalid CLEG expression!";if(!b.mkCalcOnly&&!A&&r&&!v.isDefaultSetting()){x=
X(-1,[v.specialPrefix+v.myIta]);r=b.mkCalcOnly?new JS.CLEG.AssignedSGParams(e,!1):new JS.CLEG.AssignedSGParams(e,null,null,b.mkParamsOrUC,-1,!0,b.mkSb,!1);x=new JS.CLEG.ClegData(e.getSymTemp(),x);r=JS.CLEG.assignSpaceGroup(x,r);if(r.endsWith("!"))return r;b.mkCalcOnly?(s=b.mkSym00=x.sym,a.trMat=x.trMat):b.mkSym00=e.getOperativeSymmetry();if(null==b.mkSym00)return"CLEG spacegroup initialization error!";r=!1;x=!0}var z=0==d&&(!b.mkCalcOnly&&!r&&n||b.mkIsAssign),n=r?null:b.mkSym00.getSpaceGroupClegId(),
w=null;if(!r&&!(null==n||n.equals("0"))){var F=n.indexOf(":");0<F&&(w=n.substring(F+1),n=n.substring(0,F));z&&(w=b.mkSym00.getSpaceGroupInfoObj("itaTransform",null,!1,!1))}null==a.trMat&&(a.trMat=new JU.M4,a.trMat.setIdentity());if(!b.mkIsAssign&&(a.setSymmetry(s),a.setPrevNode(new JS.CLEG.ClegNode(a,-1,null==n?null:n+":"+w)),b.mkIgnoreAllSettings&&a.getPrevNode().disable(),!a.getPrevNode().update(a)))return a.errString}if(p&&!a.getPrevNode().setCalcNext(a,B))return a.errString;if(A){if(l)return"CLEG pathway is incomplete!";
0<j.length&&a.addTransform(d,j);++b.mkIndex;return JS.CLEG.assignSpaceGroup(a,b)}if(!z){a.setSymmetry(s);if(!v.update(a))return a.errString;l&&m&&a.setNodeTransform(v);a.updateTokens(v)}if(!l)return b.mkIndex++,a.setPrevNode(v),JS.CLEG.assignSpaceGroup(a,b);m=l=d=null;d=!k||!JU.AU.isAD(b.mkParamsOrUC)?null:b.mkParamsOrUC;r&&(s.setUnitCellFromParams(null==d?C(-1,[10,10,10,90,90,90]):d,!1,NaN),b.mkParamsOrUC=null,k=!1);k?JU.AU.isAD(b.mkParamsOrUC)?d=b.mkParamsOrUC:(l=b.mkParamsOrUC,m=l[0]):r||(a.setSymmetry(s=
b.mkSym00),null==a.trMat&&(a.trMat=new JU.M4,a.trMat.setIdentity()),l=s.getV0abc(X(-1,[a.trMat]),null),m=l[0]);null!=l&&(d=s.getUnitCell(l,!1,"assign").getUnitCellParams(),null==m&&(m=l[0]));k=j.equalsIgnoreCase("P1")||j.equals("ITA/1.1");try{var y,H,p=-1;if(b.mkCalcOnly)b.mkBitset=y=new JU.BS,H=!0;else{if(null!=b.mkBitset&&b.mkBitset.isEmpty())return"no atoms specified!";y=e.getThisModelAtoms();var I=k?y:JS.SV.getBitSet(e.evaluateExpressionAsVariable("{within(unitcell)}"),!0);null==b.mkBitset&&(b.mkBitset=
y);null!=b.mkBitset&&(y.and(b.mkBitset),k||y.and(I));p=(H=y.isEmpty())&&0>e.am.cmi?0:H?e.am.cmi:e.ms.at[y.nextSetBit(0)].getModelIndex();b.mkIsAssign||e.ms.getModelAuxiliaryInfo(p).remove("spaceGroupInfo")}!r&&!b.mkIsAssign&&s.saveOrRetrieveTransformMatrix(a.trMat);null==d&&(d=s.getUnitCellMultiplied().getUnitCellParams());var t=(new Boolean(t|b.mkIsAssign)).valueOf(),G=H&&t?null:e.findSpaceGroup(s,t?y:null,t?null:v.getName(),d,m,l,2|(b.mkCalcOnly?16:0)|(!r||b.mkIsAssign?0:4));if(null==G)return"Space group "+
v.getName()+" is unknown or not compatible!";if(null==l||r)l=G.get("unitcell");var j=G.get("name"),L=G.get("jmolId"),O=G.get("basis"),P=G.remove("sg");s.getUnitCell(l,!1,null);s.setSpaceGroupTo(null==P?L:P);s.setSpaceGroupName(j);if(b.mkCalcOnly)return a.setSymmetry(s),"OK";null==O&&(O=s.removeDuplicates(e.ms,y,!0));e.ms.setSpaceGroup(p,s,O);if(b.mkIsAssign)return j;(r||x)&&e.runScript("unitcell on; center unitcell;axes unitcell; axes 0.1; axes on;set perspectivedepth false;moveto 0 axis c1;draw delete;show spacegroup");
var E=a.abcFor(a.trMat);if(!h){JS.CLEG.standardizeTokens(g,!0);var R=JU.PT.join(g,">",0)+(O.isEmpty()?"":"\n basis="+O);System.out.println("CLEG="+R);b.mkSb.append(R).append("\n")}return E}catch(Q){if(ha(Q,Exception))return JV.Viewer.isJS||Q.printStackTrace(),Q.getMessage()+"!";throw Q;}},"JS.CLEG.ClegData,JS.CLEG.AssignedSGParams");var a=L(function(){this.retLst=this.retMap=this.prevNode=this.trTemp=this.trLink=this.errString=this.trMat=this.sym=this.tokens=null;this.asM4=!1;Q(this,arguments)},JS.CLEG,
"ClegData",null);la(a,function(){this.trTemp=new JU.M4});Z(a,function(a,b){this.tokens=b;this.sym=a},"J.api.SymmetryInterface,~A");d(a,"setSymmetry",function(a){this.sym=a},"J.api.SymmetryInterface");d(a,"addSGTransform",function(a,b){null==this.trMat&&(System.out.println("ClegData reset"),this.trMat=new JU.M4,this.trMat.setIdentity());null!=a&&this.trMat.mul(this.matFor(a));null!=b&&System.out.println("ClegData adding "+b+" "+a+" now "+this.abcFor(this.trMat));return this.trMat},"~S,~S");d(a,"abcFor",
function(a){return this.sym.staticGetTransformABC(a,!1)},"JU.M4");d(a,"matFor",function(a){return this.sym.convertTransform(a,0<a.indexOf(">")?null:this.trTemp)},"~S");d(a,"removePrevNodeTrm",function(){null!=this.prevNode&&(null!=this.prevNode.myTrm&&!this.prevNode.disabled)&&this.addSGTransform("!"+this.prevNode.myTrm,"!prevNode.myTrm")});d(a,"calculate",function(a){a.invert();var b=JU.M4.newM4(this.trMat);b.mul(a);return this.sym.convertTransform(null,b)},"JU.M4");d(a,"updateTokens",function(a){var b=
a.index,e=a.name,e=e.startsWith("ITA/")?e.substring(4):a.myIta+":"+a.myTrm;this.setToken(b,e);null!=a.calculated&&0<b&&this.setToken(b-1,a.calculated)},"JS.CLEG.ClegNode");d(a,"setToken",function(a,b){this.tokens[a]=b},"~N,~S");d(a,"addTransformLink",function(){null==this.trLink&&(this.trLink=new JU.M4,this.trLink.setIdentity());this.trLink.mul(this.trTemp)});d(a,"setNodeTransform",function(a){a.myTrm=this.abcFor(this.trMat);a.setITAName()},"JS.CLEG.ClegNode");d(a,"addTransform",function(a,b){this.addSGTransform(b,
">t>");this.addTransformLink();System.out.println("CLEG.addTransform index="+a+" trm="+this.trMat)},"~N,~S");d(a,"getPrevNode",function(){return this.prevNode});d(a,"setPrevNode",function(a){return this.prevNode=a},"JS.CLEG.ClegNode");d(a,"addPrimitiveTransform",function(a,b){var e=this.sym.getSpaceGroupInfoObj("hmName",a+":"+b,!1,!1);if(null==e)return b;e=e.charAt(0);if(0>"ABCFI".indexOf(e))return b;e=JU.M4.newMV(JS.UnitCell.getPrimitiveTransform(e),JU.P3.new3(0,0,0));e.mul(this.matFor(b));return this.abcFor(e)},
"~S,~S");d(a,"setReturnMap",function(a){null!=a&&(this.asM4=a.get("ASM4")===Boolean.TRUE,a.clear());this.retMap=a},"java.util.Map");d(a,"setReturnLst",function(a){null!=a&&a.clear();this.retLst=a},"JU.Lst");a=L(function(){this.myTrm=this.myIta=this.name=null;this.index=0;this.calcNext=null;this.calcIndexMax=this.calcIndexMin=this.calcDepthMax=this.calcDepthMin=this.calcI2=this.calcI1=0;this.calculated=null;this.isThisModelCalc=this.disabled=!1;this.hallSymbol=null;this.specialType=0;this.specialPrefix=
"";Q(this,arguments)},JS.CLEG,"ClegNode",null);Z(a,function(a,b,e){null!=e&&(this.index=b,this.init(a,e))},"JS.CLEG.ClegData,~N,~S");d(a,"disable",function(){this.disabled=!0});d(a,"checkSpecial",function(a){switch(this.specialType=JS.SpaceGroup.getExplicitSpecialGroupType(a)){case -1:return null;case 0:if(!JS.CLEG.allow300)return a;var b=a.indexOf("."),b=0<b?a.substring(0,b):a,e=JS.SpaceGroup.getITNo(b,0);if(300>e)return a;if(600<e)return null;this.specialType=100*F(e/100);this.specialPrefix=JS.SpaceGroup.getGroupTypePrefix(e);
return""+(e-this.specialType)+a.substring(b.length);default:return this.specialPrefix=a.substring(0,2),a.substring(2)}},"~S");d(a,"init",function(a,b){var e=JS.CLEG.isProbableClegSetting(b);0<e&&(this.myIta=b.substring(0,e),this.myTrm=b.substring(e+1));b.equals("ref")&&(this.isThisModelCalc=!0);b=this.checkSpecial(b);var d=b.endsWith(":p");d&&(b=b.substring(0,b.length-2));var g=b.startsWith("ITA/");g&&(b=this.checkSpecial(b.substring(4)));var h=!1,k=this.hallSymbol=null;if(0==this.specialType&&"["==
b.charAt(0)){e=b.indexOf("]");if(0>e){a.errString="invalid Hall symbol: "+b+"!";return}this.hallSymbol=b.substring(1,e);e=this.hallSymbol.indexOf("(");0<e&&(k=this.hallSymbol.substring(e+1,this.hallSymbol.length-1)+" ",this.hallSymbol=this.hallSymbol.substring(0,e).trim(),k=JU.PT.rep(k," ","/12,"),k="a,b,c;"+k.substring(0,k.length-1));e=b.indexOf(":");0<e&&(this.myTrm=b.substring(e+1));b="Hall:"+this.hallSymbol}else b.startsWith("HM:")?h=!0:3>=b.length&&(g=0<JS.SpaceGroup.getITNo(b,0))&&(b=this.checkSpecial(b)+
".1");!g&&(null==this.hallSymbol&&!h)&&(e=JU.PT.isDigit(b.charAt(0))?b.indexOf(" "):-1,0<e&&(b=b.substring(0,e)),0<b.indexOf(".")&&!Float.isNaN(JU.PT.parseFloat(b))&&(g=!0));if(g){this.myTrm=b.endsWith(".1")?"a,b,c":a.sym.getSpaceGroupInfoObj("itaTransform",this.specialPrefix+b,!1,!1);if(null==this.myTrm){a.errString="Unknown ITA setting: "+this.specialPrefix+b+"!";return}this.myIta=JU.PT.split(b,".")[0]}else null==this.myIta&&(this.myIta=a.sym.getSpaceGroupInfoObj("itaNumber",this.specialPrefix+
b,!1,!1)),null==this.myTrm&&(this.myTrm=a.sym.getSpaceGroupInfoObj("itaTransform",this.specialPrefix+b,!1,!1)),null!=this.hallSymbol&&null!=k&&(this.myTrm=k+(this.myTrm.equals("a,b,c")?"":">"+this.myTrm));"0".equals(this.myIta)?a.errString="Could not get ITA space group for "+b+"!":(d&&(this.myTrm=a.addPrimitiveTransform(this.myIta,this.myTrm)),this.setITAName())},"JS.CLEG.ClegData,~S");d(a,"setITAName",function(){return this.name="ITA/"+this.specialPrefix+this.myIta+":"+this.myTrm});d(a,"update",
function(a){if(null!=a.errString)return!1;if(null==this.name)return!0;var b=a.prevNode;b.isThisModelCalc&&(b.myIta=this.myIta);if(!(null==a.trLink&&null!=this.myIta&&(this.myIta.equals(b.myIta)||null!=b.calcNext)))return!0;var d=JU.M4.newM4(a.trMat);a.removePrevNodeTrm();var m=null;if(null!=b.calcNext){var g=!0,h=m=!1;switch(b.calcNext){case "super(":case "sub(":h=!0;break;case "super":g=!1;break;case "":case "set":b.calcNext="set",m=!0}var k=JU.PT.parseInt(b.myIta),l=JU.PT.parseInt(this.myIta);if(h||
!(null==a.retLst&&(null==a.retMap||a.asM4)&&m&&k==l)){m=a.sym.getSubgroupJSON(g?b.name:this.name,g?this.name:b.name,b.calcI1,b.calcI2,b.calcIndexMax<<24|b.calcIndexMin<<16|b.calcDepthMax<<8|b.calcDepthMin,a.retMap,a.retLst);if(h=null!=m){if(m.endsWith("!"))return a.errString=m,!1;g||(m="!"+m)}b=b.myIta+">"+(h?m:"?")+">"+this.myIta;if(!h)return a.errString=b+"!",!1;a.addSGTransform(m,"sub")}}this.disabled||a.addSGTransform(this.myTrm,"myTrm");this.calculated=a.calculate(d);System.out.println("calculated is "+
this.calculated+(null==a.retMap?"":" for the path "+a.retMap.get("indexPath")));return!0},"JS.CLEG.ClegData");d(a,"getName",function(){return this.name});d(a,"getCleanITAName",function(){var a=this.name.startsWith("ITA/")?this.name.substring(4):this.name;0!=this.specialType&&!a.startsWith(this.specialPrefix)&&(a=this.specialPrefix+a);return a});d(a,"isDefaultSetting",function(){return null==this.myTrm||JS.CLEG.cleanCleg000(this.myTrm).equals("a,b,c")});d(a,"setCalcNext",function(a,b){var d=b.length;
switch(0==d?b:JS.CLEG.getCalcType(b)){case "sub":if(null!=a.retLst||null!=a.retMap){d=0;break}case "super":this.calcI2=this.calcI1=1;d=3;break;case "sub(":d=-3;break;case "super(":d=-5}for(var m=!0;;){if(0==d)this.calcIndexMin=2,this.calcIndexMax=255,this.calcDepthMin=1,this.calcDepthMax=255,m=!1;else if(0<d)this.calcIndexMin=2,this.calcIndexMax=255,this.calcDepthMax=this.calcDepthMin=1,m=!1;else{if(b.indexOf(")")!=b.length-1)break;var g=JU.PT.split(JU.PT.trim(b.toLowerCase().substring(-d+1),")"),
",");try{if(5==b.length||0<=b.indexOf("=")){this.calcIndexMin=2;this.calcIndexMax=255;this.calcDepthMin=1;this.calcDepthMax=255;b=b.substring(0,-d);for(var h=g.length;0<=--h;){var k=g[h],l=Math.min(255,Integer.parseInt(k.substring(k.indexOf("=")+1)));k.startsWith("indexmax=")?this.calcIndexMax=Math.max(2,l):k.startsWith("indexmin=")?this.calcIndexMin=Math.max(2,l):k.startsWith("index=")&&(this.calcIndexMin=this.calcIndexMax=Math.max(2,l));k.startsWith("depthmax=")?this.calcDepthMax=Math.max(1,l):
k.startsWith("depthmin=")?this.calcDepthMin=Math.max(1,l):k.startsWith("depth=")&&(this.calcDepthMin=this.calcDepthMax=Math.max(1,l))}}else switch(g.length){case 2:this.calcI2=Math.max(0,Integer.parseInt(g[1]))&255;case 1:this.calcI1=Math.max(1,Integer.parseInt(g[0]))&255}b=b.substring(0,-d);m=!1}catch(j){if(!ha(j,Exception))throw j;}}break}if(m)return a.errString="Error parsing CLEG "+b+"!",!1;this.calcNext=b;return!0},"JS.CLEG.ClegData,~S");m(a,"toString",function(){return"[ClegNode #"+this.index+
" "+this.name+"   "+this.myIta+":"+this.myTrm+(this.disabled?" disabled":"")+"]"});a=L(function(){this.vwr=null;this.mkIsAssign=this.mkCalcOnly=!1;this.mkSb=null;this.mkIgnoreAllSettings=!1;this.mkParamsOrUC=this.mkBitset=this.mkSym00=null;this.mkWasNode=!1;this.mkIndex=0;Q(this,arguments)},JS.CLEG,"AssignedSGParams",null);Z(a,function(a,b){this.vwr=a;this.mkCalcOnly=!0;this.mkIsAssign=!1;this.mkSb=null;b&&(this.mkSym00=a.getOperativeSymmetry())},"JV.Viewer,~B");Z(a,function(a,b,d,m,g,h,k,l){this.vwr=
a;this.mkCalcOnly=!1;this.mkIndex=g;this.mkSym00=b;this.mkBitset=d;this.mkParamsOrUC=m;this.mkIgnoreAllSettings=h;this.mkSb=k;this.mkIsAssign=l},"JV.Viewer,J.api.SymmetryInterface,JU.BS,~O,~N,~B,JU.SB,~B");b.allow300=!1})})(Clazz,Clazz.getClassName,Clazz.newLongArray,Clazz.doubleToByte,Clazz.doubleToInt,Clazz.doubleToLong,Clazz.declarePackage,Clazz.instanceOf,Clazz.load,Clazz.instantialize,Clazz.decorateAsClass,Clazz.floatToInt,Clazz.floatToLong,Clazz.makeConstructor,Clazz.defineEnumConstant,Clazz.exceptionOf,
Clazz.newIntArray,Clazz.newFloatArray,Clazz.declareType,Clazz.prepareFields,Clazz.superConstructor,Clazz.newByteArray,Clazz.declareInterface,Clazz.newShortArray,Clazz.innerTypeInstance,Clazz.isClassDefined,Clazz.prepareCallback,Clazz.newArray,Clazz.castNullAs,Clazz.floatToShort,Clazz.superCall,Clazz.decorateAsType,Clazz.newBooleanArray,Clazz.newCharArray,Clazz.implementOf,Clazz.newDoubleArray,Clazz.overrideConstructor,Clazz.clone,Clazz.doubleToShort,Clazz.getInheritedLevel,Clazz.getParamsType,Clazz.isAF,
Clazz.isAB,Clazz.isAI,Clazz.isAS,Clazz.isASS,Clazz.isAP,Clazz.isAFloat,Clazz.isAII,Clazz.isAFF,Clazz.isAFFF,Clazz.tryToSearchAndExecute,Clazz.getStackTrace,Clazz.inheritArgs,Clazz.alert,Clazz.defineMethod,Clazz.overrideMethod,Clazz.declareAnonymous,Clazz.cloneFinals);
