Clazz.declarePackage("J.adapter.smarter");
Clazz.load(["JU.P3"], "J.adapter.smarter.Atom", ["JU.AU", "$.Lst", "$.V3"], function(){
var c$ = Clazz.decorateAsClass(function(){
this.atomSetIndex = 0;
this.index = 0;
this.bsSymmetry = null;
this.atomSite = 0;
this.elementSymbol = null;
this.elementNumber = -1;
this.atomName = null;
this.formalCharge = -2147483648;
this.partialCharge = NaN;
this.vib = null;
this.bfactor = NaN;
this.foccupancy = 1;
this.radius = NaN;
this.isHetero = false;
this.atomSerial = -2147483648;
this.chainID = 0;
this.bondingRadius = NaN;
this.altLoc = '\0';
this.group3 = null;
this.sequenceNumber = -2147483648;
this.insertionCode = '\0';
this.anisoBorU = null;
this.tensors = null;
this.typeSymbol = null;
this.part = 0;
Clazz.instantialize(this, arguments);}, J.adapter.smarter, "Atom", JU.P3, Cloneable);
Clazz.makeConstructor(c$, 
function(){
Clazz.superConstructor (this, J.adapter.smarter.Atom, []);
this.set(NaN, NaN, NaN);
});
Clazz.defineMethod(c$, "addTensor", 
function(tensor, type, reset){
if (tensor == null) return null;
if (reset || this.tensors == null) this.tensors =  new JU.Lst();
this.tensors.addLast(tensor);
if (type != null) tensor.setType(type);
return tensor;
}, "JU.Tensor,~S,~B");
Clazz.defineMethod(c$, "getClone", 
function(){
var a;
try {
a = this.clone();
} catch (e) {
if (Clazz.exceptionOf(e,"CloneNotSupportedException")){
return null;
} else {
throw e;
}
}
if (this.vib != null) {
if (Clazz.instanceOf(this.vib,"JU.Vibration")) {
a.vib = (this.vib).clone();
} else {
a.vib = JU.V3.newV(a.vib);
}}if (this.anisoBorU != null) a.anisoBorU = JU.AU.arrayCopyF(this.anisoBorU, -1);
if (this.tensors != null) {
a.tensors =  new JU.Lst();
for (var i = this.tensors.size(); --i >= 0; ) a.tensors.addLast((this.tensors.get(i)).copyTensor());

}return a;
});
Clazz.defineMethod(c$, "getElementSymbol", 
function(){
if (this.elementSymbol == null && this.atomName != null) {
var len = this.atomName.length;
var ichFirst = 0;
var chFirst = String.fromCharCode(0);
while (ichFirst < len && !J.adapter.smarter.Atom.isValidSymChar1(chFirst = this.atomName.charAt(ichFirst))) ++ichFirst;

switch (len - ichFirst) {
case 0:
break;
default:
var chSecond = this.atomName.charAt(ichFirst + 1);
if (J.adapter.smarter.Atom.isValidSymNoCase(chFirst, chSecond)) {
this.elementSymbol = "" + chFirst + chSecond;
break;
}case 1:
if (J.adapter.smarter.Atom.isValidSym1(chFirst)) this.elementSymbol = "" + chFirst;
break;
}
}return this.elementSymbol;
});
c$.isValidSym1 = Clazz.defineMethod(c$, "isValidSym1", 
function(ch){
return (ch >= 'A' && ch <= 'Z' && J.adapter.smarter.Atom.elementCharMasks[ch.charCodeAt(0) - 65] < 0);
}, "~S");
c$.isValidSym2 = Clazz.defineMethod(c$, "isValidSym2", 
function(ch1, ch2){
return (ch1 >= 'A' && ch1 <= 'Z' && ch2 >= 'a' && ch2 <= 'z' && ((J.adapter.smarter.Atom.elementCharMasks[ch1.charCodeAt(0) - 65] >> (ch2.charCodeAt(0) - 97)) & 1) != 0);
}, "~S,~S");
c$.isValidSymNoCase = Clazz.defineMethod(c$, "isValidSymNoCase", 
function(ch1, ch2){
return J.adapter.smarter.Atom.isValidSym2(ch1, ch2 < 'a' ? String.fromCharCode(ch2.charCodeAt(0) + 32) : ch2);
}, "~S,~S");
c$.isValidSymChar1 = Clazz.defineMethod(c$, "isValidSymChar1", 
function(ch){
return (ch >= 'A' && ch <= 'Z' && J.adapter.smarter.Atom.elementCharMasks[ch.charCodeAt(0) - 65] != 0);
}, "~S");
Clazz.defineMethod(c$, "copyTo", 
function(pt, asc){
var a = asc.newCloneAtom(this);
a.setT(pt);
return a;
}, "JU.P3,J.adapter.smarter.AtomSetCollection");
c$.elementCharMasks =  Clazz.newIntArray(-1, [1972292, -2147351151, -2146019271, -2130706430, 1441792, -2147348464, 25, -2147205008, -2147344384, 0, -2147352576, 1179905, 548936, -2147434213, -2147221504, -2145759221, 0, 1056947, -2147339946, -2147477097, -2147483648, -2147483648, -2147483648, 8388624, -2147483646, 139264]);
});
;//5.0.1-v7 Mon Jul 21 08:59:16 CDT 2025
