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Searched defs:bondCount (Results 1 – 25 of 60) sorted by relevance

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/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/simple/
H A DJmeReader.java73 int bondCount = parseInt(); in initializeReader() local
108 private void readBonds(int bondCount) throws Exception { in readBonds()
H A DHyperChemReader.java104 int bondCount = parseInt(); in processAtom() local
H A DAlchemyReader.java53 private int bondCount; field in AlchemyReader
H A DGhemicalMMReader.java127 int bondCount = parseIntAt(line, 6); in processBonds() local
/dports/science/jmol/jmol-14.32.7/src/org/jmol/modelset/
H A DBondIteratorSelected.java35 private int bondCount; field in BondIteratorSelected
41 BondIteratorSelected(Bond[] bonds, int bondCount, int bondType, in BondIteratorSelected()
H A DModel.java128 private int bondCount = -1; field in Model
/dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/
H A DBondCountDescriptor.java139 int bondCount = 0; in calculate() local
155 int bondCount = 0; in calculate() local
/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DQueryAtomContainer.java85 protected int bondCount; field in QueryAtomContainer
184 …public QueryAtomContainer(int atomCount, int bondCount, int lpCount, int seCount, IChemObjectBuild… in QueryAtomContainer()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/more/
H A DMol2Reader.java112 int bondCount = parseInt(); in processMolecule() local
270 private void readBonds(int bondCount) throws Exception { in readBonds()
/dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/
H A DAtomContainer.java88 protected int bondCount; field in AtomContainer
185 public AtomContainer(int atomCount, int bondCount, int lpCount, in AtomContainer()
/dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/
H A DAtomContainer.java86 protected int bondCount; field in AtomContainer
187 public AtomContainer(int atomCount, int bondCount, int lpCount, in AtomContainer()
/dports/science/cdk/cdk-cdk-2.3/tool/group/src/main/java/org/openscience/cdk/group/
H A DBondRefinable.java109 int bondCount = atomContainer.getBondCount(); in getInitialPartition() local
157 int bondCount = atomContainer.getBondCount(); in setupConnectionTable() local
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/smarter/
H A DBondIterator.java35 private int bondCount; field in BondIterator
/dports/science/cdk/cdk-cdk-2.3/tool/structgen/src/test/java/org/openscience/cdk/structgen/
H A DSingleStructureRandomGeneratorTest.java72 double bondCount = 0; in fixCarbonHCount() local
/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/protocall/
H A Dmoleculedeserializer.cpp132 uint32 bondCount; in deserializeBondPairs() local
/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/protocall/
H A Dmoleculedeserializer.cpp132 uint32 bondCount; in deserializeBondPairs() local
/dports/science/cdk/cdk-cdk-2.3/base/test-standard/src/test/java/org/openscience/cdk/tools/manipulator/
H A DChemFileManipulatorTest.java153 int bondCount = 0; in testGetAllChemObjects_IChemFile() local
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/molxyz/
H A DV3000Rdr.java100 private void readBonds(int bondCount) throws Exception { in readBonds()
/dports/science/cdk/cdk-cdk-2.3/storage/io/src/main/java/org/openscience/cdk/io/
H A DMol2Reader.java246 int bondCount = 0; in readMolecule() local
/dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/tools/
H A DIDCreator.java67 private static int bondCount = 0; field in IDCreator
/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/
H A Drwmolecule.h797 inline Index RWMolecule::bondCount() const in bondCount() function
/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtgui/
H A Drwmolecule.h797 inline Index RWMolecule::bondCount() const in bondCount() function
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/smsd/tools/
H A DExtAtomContainerManipulator.java353 int bondCount = container.getBondCount(); in copyBonds() local
/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DFunctionalReplacement.java651 int bondCount = oxygen.getBondCount(); in performChalcogenFunctionalReplacement() local
663 int bondCount = oxygen.getBondCount(); in performChalcogenFunctionalReplacement() local
/dports/graphics/libbpg/libbpg-0.9.8/x265/source/common/
H A Dthreadpool.cpp209 int bondCount = 0; in tryBondPeers() local

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