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Searched defs:getAtomCount (Results 1 – 25 of 32) sorted by relevance

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/dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/tools/manipulator/
H A DChemSequenceManipulator.java50 public static int getAtomCount(IChemSequence sequence) { in getAtomCount() method in ChemSequenceManipulator
H A DChemFileManipulator.java53 public static int getAtomCount(IChemFile file) { in getAtomCount() method in ChemFileManipulator
H A DMoleculeSetManipulator.java43 public static int getAtomCount(IAtomContainerSet set) { in getAtomCount() method in MoleculeSetManipulator
H A DRingSetManipulator.java48 public static int getAtomCount(IRingSet set) { in getAtomCount() method in RingSetManipulator
H A DAtomContainerSetManipulator.java45 public static int getAtomCount(IAtomContainerSet set) { in getAtomCount() method in AtomContainerSetManipulator
H A DReactionSetManipulator.java45 public static int getAtomCount(IReactionSet set) { in getAtomCount() method in ReactionSetManipulator
H A DChemModelManipulator.java62 public static int getAtomCount(IChemModel chemModel) { in getAtomCount() method in ChemModelManipulator
H A DReactionManipulator.java59 public static int getAtomCount(IReaction reaction) { in getAtomCount() method in ReactionManipulator
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smsd/algorithm/vflib/builder/
H A DTargetProperties.java83 public int getAtomCount() { in getAtomCount() method in TargetProperties
/dports/science/cdk/cdk-cdk-2.3/misc/extra/src/main/java/org/openscience/cdk/
H A DAssociation.java108 public int getAtomCount() { in getAtomCount() method in Association
/dports/science/py-pymol/pymol-open-source-2.4.0/layer3/
H A DSelector.h244 int getAtomCount() { return m_count; } in getAtomCount() function
/dports/science/jmol/jmol-14.32.7/src/org/openscience/jmol/app/janocchio/
H A DNMR_Viewer.java36 public int getAtomCount() { in getAtomCount() method in NMR_Viewer
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/qfitlib/tools/python/
H A Dobabel.py91 def getAtomCount(self): member in Molecule
/dports/science/gromacs/gromacs-2021.4/src/gromacs/trajectoryanalysis/
H A Drunnercommon.cpp99 int getAtomCount() override in getAtomCount() function in gmx::TrajectoryAnalysisRunnerCommon::Impl
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/
H A DBondRef.java145 public int getAtomCount() { in getAtomCount() method in BondRef
/dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/
H A DIBond.java221 int getAtomCount(); in getAtomCount() method
H A DIAtomContainer.java308 int getAtomCount(); in getAtomCount() method
/dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/
H A DDebugBond.java233 public int getAtomCount() { in getAtomCount() method in DebugBond
H A DDebugPolymer.java231 public int getAtomCount() { in getAtomCount() method in DebugPolymer
H A DDebugAtomContainer.java267 public int getAtomCount() { in getAtomCount() method in DebugAtomContainer
H A DDebugMonomer.java229 public int getAtomCount() { in getAtomCount() method in DebugMonomer
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/smarter/
H A DSmarterJmolAdapter.java433 public int getAtomCount(Object asc) { in getAtomCount() method in SmarterJmolAdapter
/dports/science/jmol/jmol-14.32.7/src/org/jmol/api/
H A DJmolAdapter.java293 abstract public int getAtomCount(Object atomSetCollection); in getAtomCount() method in JmolAdapter
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dinsert_molecules.cpp348 int getAtomCount() override { return 0; } in getAtomCount() function in gmx::__anon75eb47de0111::InsertMolecules
/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DFragment.java94 int getAtomCount() { in getAtomCount() method in Fragment

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