| /dports/science/smoldyn/smoldyn-2.67/source/BioNetGen/Perl2/ |
| H A D | XMLReader.pm | 37 sub getMolecules{ subroutine
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/SubstructLibrary/ |
| H A D | PatternFactory.cpp | 52 unsigned int endIdx = sslib.getMolecules().size(); in internalAddPatterns()
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| H A D | SubstructLibrary.h | 455 const MolHolderBase &getMolecules() const { in getMolecules() function
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/jvxl/readers/ |
| H A D | AtomDataReader.java | 156 boolean getRadii, boolean getMolecules, in getAtoms() argument
178 | (getMolecules ? AtomData.MODE_FILL_MOLECULES : 0) in getAtoms()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/util/ |
| H A D | JmolMolecule.java | 82 public final static JmolMolecule[] getMolecules(Node[] atoms, in getMolecules() method in JmolMolecule
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| /dports/science/coordgenlibs/coordgenlibs-3.0.0/ |
| H A D | sketcherMinimizer.h | 133 const std::vector<sketcherMinimizerMolecule*>& getMolecules() const { return m_molecules; } in getMolecules() function
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/modelset/ |
| H A D | ModelSet.java | 1485 getMolecules(); in fillAtomData()
1779 getMolecules(); in getMoleculeIndex()
1795 getMolecules(); in getMoleculeBitSet()
1816 getMolecules(); in getMoleculeBitSetForAtom()
1883 getMolecules(); in getMoleculeCountInModel()
1896 getMolecules(); in calcSelectedMoleculesCount()
1932 public JmolMolecule[] getMolecules() { in getMolecules() method in ModelSet
1951 molecules = JmolMolecule.getMolecules(at, bsModelAtoms, biobranches, null); in getMolecules()
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| /dports/science/py-pymol/pymol-open-source-2.4.0/modules/pmg_tk/startup/ |
| H A D | apbs_tools.py | 369 def getMolecules(): member in util
372 getMolecules = staticmethod(getMolecules) variable in util
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| /dports/science/coordgenlibs/coordgenlibs-3.0.0/test/ |
| H A D | test_coordgen.cpp | 431 for (auto molecule : min.getMolecules()) { in BOOST_AUTO_TEST_CASE()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/shapespecial/ |
| H A D | Dipoles.java | 357 JmolMolecule[] mols = ms.getMolecules(); in getAllMolecularDipoles()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/viewer/ |
| H A D | ShapeManager.java | 483 JmolMolecule[] molecules = ms.getMolecules(); in finalizeAtoms()
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| H A D | PropertyManager.java | 975 JmolMolecule[] molecules = vwr.ms.getMolecules(); in getMoleculeInfo()
1017 m.getMolecules(); in getModelInfo()
1076 JmolMolecule[] molList = JmolMolecule.getMolecules(atoms, bsModelAtoms, in getLigandInfo()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/symmetry/ |
| H A D | Symmetry.java | 606 JmolMolecule[] molecules = modelSet.getMolecules(); in notInCentroid()
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| /dports/science/cdk/cdk-cdk-2.3/doc/ |
| H A D | CHANGELOG | 782 * Fix for SetOfMolecule.getMolecules(). The array length is now
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/scriptext/ |
| H A D | MathExt.java | 1757 JmolMolecule[] mols = vwr.ms.getMolecules(); in evaluateFind()
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