Package nMOLDYN |
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# Package nMOLDYN

source code

Submodules | [hide private]
nMOLDYN.Analysis nMOLDYN.Analysis.Analysis: This modules implements the base class for all the analysis available in nMOLDYN. nMOLDYN.Analysis.Dynamics: Collections of classes for the determination of dynamics-related properties. nMOLDYN.Analysis.NMR: Collections of classes for the determination of NMR-related properties. nMOLDYN.Analysis.Scattering: Collections of classes for the determination of scattering-related properties. nMOLDYN.Analysis.Slave: This modules contains the functions used by Pyro slave to perform analysis remotely. nMOLDYN.Analysis.Structure: Collections of classes for the determination of structure-related properties. nMOLDYN.Analysis.Template: This modules implements the estimate, serial and parrallel templates for all analysis. nMOLDYN.Core nMOLDYN.Core.Chemistry: This modules implements the functions and procedures that are related to chemistry. nMOLDYN.Core.Config: This modules implements the procedures that handles nMOLDYN PREFERENCES. nMOLDYN.Core.Error nMOLDYN.Core.IOFiles: This module implements IO-related classes, functions and procedures. nMOLDYN.Core.Logger: This module implements the classes used to handle the nMOLDYN logger. nMOLDYN.Core.Mathematics: This modules implements the mathematics-related classes, functions and procedures. nMOLDYN.Core.Misc: This modules implements the functions and procedures that can not be classified anywhere else in the library. nMOLDYN.Core.Preferences: This modules stores some the nMOLDYN PREFERENCES variables that will be used throughout all nMOLDYN code. nMOLDYN.GUI nMOLDYN.GUI.ASCIIToNetCDFConversionDialog: This modules implements I{File-->Convert ASCII to NetCDF} dialog. nMOLDYN.GUI.AnalysisBenchmarkDialog: This modules implements I{Help-->nMOLDYN benchmark} dialog. nMOLDYN.GUI.AnalysisDialog: This modules implements I{Analysis-->selected analysis} dialog. nMOLDYN.GUI.AnimationDialog: This modules implements I{View-->Animation} dialog. nMOLDYN.GUI.CheckJobsStatusDialog: This modules implements I{Help-->Check job status} dialog. nMOLDYN.GUI.GeneralInformationsDialog: This modules implements I{Help-->About nMOLDYN} dialog. nMOLDYN.GUI.HTMLReader nMOLDYN.GUI.HTMLReader.mfxtools nMOLDYN.GUI.HTMLReader.mfxutil nMOLDYN.GUI.HTMLReader.tkconst nMOLDYN.GUI.HTMLReader.tkfont nMOLDYN.GUI.HTMLReader.tkhtml nMOLDYN.GUI.HTMLReader.tkinit nMOLDYN.GUI.HTMLReader.tkutil nMOLDYN.GUI.HTMLReader.tkwidget nMOLDYN.GUI.HTMLReader.util nMOLDYN.GUI.HTMLReader.version nMOLDYN.GUI.MainDialog: This is where the main window of nMOLDYN is defined. nMOLDYN.GUI.NetCDFToASCIIConversionDialog: This modules implements I{File-->Convert NetCDF to ASCII} dialog. nMOLDYN.GUI.PDBSnapshotGeneratorDialog: This modules implements I{File-->Frame snapshot} dialog. nMOLDYN.GUI.PlotNetCDFVariableDialog: This modules implements I{View-->Plot} dialog. nMOLDYN.GUI.PreferencesDialog: This modules implements I{File-->Preferences} dialog. nMOLDYN.GUI.PyroServerDialog: This modules implements I{View-->Animation} dialog. nMOLDYN.GUI.SelectionDialog: This modules implements the atom selection dialog used in almost all nMOLDYN analysis. nMOLDYN.GUI.Tags nMOLDYN.GUI.TrajectoryConversionDialog: This modules implements I{File --> Trajectory conversion --> converter} dialog. nMOLDYN.GUI.ViewEffectiveModeDialog: This modules implements I{View --> Effective Mode} dialog. nMOLDYN.GUI.Widgets: This module implements all classes used for the generation of combo widgets. nMOLDYN.Tests nMOLDYN.Tests.ARA nMOLDYN.Tests.ARA.TestsContents nMOLDYN.Tests.ARA.runTests nMOLDYN.Tests.AVACF nMOLDYN.Tests.AVACF.TestsContents nMOLDYN.Tests.AVACF.runTests nMOLDYN.Tests.AnalysisTests: Test cases for analysis modules. nMOLDYN.Tests.BuildTestCases nMOLDYN.Tests.DCSF nMOLDYN.Tests.DCSF.TestsContents nMOLDYN.Tests.DCSF.runTests nMOLDYN.Tests.DISF nMOLDYN.Tests.DISF.TestsContents nMOLDYN.Tests.DISF.runTests nMOLDYN.Tests.DISFG nMOLDYN.Tests.DISFG.TestsContents nMOLDYN.Tests.DISFG.runTests nMOLDYN.Tests.DOS nMOLDYN.Tests.DOS.TestsContents nMOLDYN.Tests.DOS.runTests nMOLDYN.Tests.EISF nMOLDYN.Tests.EISF.TestsContents nMOLDYN.Tests.EISF.runTests nMOLDYN.Tests.MSD nMOLDYN.Tests.MSD.TestsContents nMOLDYN.Tests.MSD.runTests nMOLDYN.Tests.StabilityTests: Test cases for stability of the current version of nMOLDYN versus nMoldyn v2.1.0, the last stable release of nMoldyn. nMOLDYN.Tests.VACF nMOLDYN.Tests.VACF.TestsContents nMOLDYN.Tests.VACF.runTests nMOLDYN.__pkginfo__

Variables | [hide private]
| nmoldyn_package_path = `os.path.split(__file__) [0]`
| fileHandler = `LogToFile(os.path.join(PREFERENCES.logfile_path,`...``
| consoleHandler = `LogToConsole()`
| dialogHandler = `LogToGUI()`

Variables Details | [hide private]

  ### fileHandler Value:
      LogToFile(os.path.join(PREFERENCES.logfile_path, 'nMOLDYN_%s.log' % st
      rftime('%a%d%b%Y_%Hh%Mm%Ss')))