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Searched defs:singleElectrons (Results 1 – 16 of 16) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/base/isomorphism/src/main/java/org/openscience/cdk/isomorphism/matchers/
H A DQueryAtomContainer.java121 protected ISingleElectron[] singleElectrons; field in QueryAtomContainer
/dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/
H A DAtomContainer.java124 protected ISingleElectron[] singleElectrons; field in AtomContainer
/dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/
H A DAtomContainer.java122 protected ISingleElectron[] singleElectrons; field in AtomContainer
/dports/science/cdk/cdk-cdk-2.3/storage/ctab/src/main/java/org/openscience/cdk/io/
H A DMDLV2000Writer.java139 private final int singleElectrons; field in MDLV2000Writer.SPIN_MULTIPLICITY
141 private SPIN_MULTIPLICITY(int value, int singleElectrons) { in SPIN_MULTIPLICITY()
/dports/science/cdk/cdk-cdk-2.3/legacy/src/main/java/org/openscience/cdk/normalize/
H A DSMSDNormalizer.java84 ISingleElectron[] singleElectrons = new ISingleElectron[singleElectronCount]; in makeDeepCopy() local
/dports/science/cdk/cdk-cdk-2.3/base/core/src/main/java/org/openscience/cdk/graph/
H A DPathTools.java268 … List<ISingleElectron> singleElectrons = atomContainer.getConnectedSingleElectronsList(atom); in breadthFirstSearch() local
/dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/
H A DIAtomContainer.java169 Iterable<ISingleElectron> singleElectrons(); in singleElectrons() method
/dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/
H A DDebugPolymer.java154 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugPolymer
H A DDebugAtomContainer.java177 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugAtomContainer
H A DDebugMonomer.java152 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugMonomer
H A DDebugBioPolymer.java155 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugBioPolymer
H A DDebugStrand.java154 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugStrand
H A DDebugRing.java177 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugRing
H A DDebugAminoAcid.java152 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugAminoAcid
H A DDebugCrystal.java162 public Iterable<ISingleElectron> singleElectrons() { in singleElectrons() method in DebugCrystal
/dports/science/cdk/cdk-cdk-2.3/base/test-interfaces/src/test/java/org/openscience/cdk/interfaces/
H A DAbstractAtomContainerTest.java1604 Iterator<ISingleElectron> singleElectrons = acetone.singleElectrons().iterator(); in testSingleElectrons() local