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Searched defs:getAtomContainer (Results 1 – 11 of 11) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/io/iterator/event/
H A DIEventChemObjectReader.java43 public IAtomContainer getAtomContainer(); in getAtomContainer() method
/dports/science/cdk/cdk-cdk-2.3/descriptor/cip/src/main/java/org/openscience/cdk/geometry/cip/
H A DILigand.java43 public IAtomContainer getAtomContainer(); in getAtomContainer() method
H A DLigand.java58 public IAtomContainer getAtomContainer() { in getAtomContainer() method in Ligand
/dports/science/cdk/cdk-cdk-2.3/descriptor/signature/src/main/java/org/openscience/cdk/signature/
H A DMoleculeFromSignatureBuilder.java96 public IAtomContainer getAtomContainer() { in getAtomContainer() method in MoleculeFromSignatureBuilder
/dports/science/cdk/cdk-cdk-2.3/storage/io/src/main/java/org/openscience/cdk/io/iterator/event/
H A DEventCMLReader.java92 public IAtomContainer getAtomContainer() { in getAtomContainer() method in EventCMLReader
H A DEventCMLHandler.java86 public IAtomContainer getAtomContainer() { in getAtomContainer() method in EventCMLHandler
/dports/science/cdk/cdk-cdk-2.3/base/interfaces/src/main/java/org/openscience/cdk/interfaces/
H A DIAtomContainerSet.java135 public IAtomContainer getAtomContainer(int number); in getAtomContainer() method
/dports/science/cdk/cdk-cdk-2.3/storage/inchi/src/main/java/org/openscience/cdk/inchi/
H A DInChIToStructure.java406 public IAtomContainer getAtomContainer() { in getAtomContainer() method in InChIToStructure
/dports/science/cdk/cdk-cdk-2.3/base/datadebug/src/main/java/org/openscience/cdk/debug/
H A DDebugSubstance.java263 public IAtomContainer getAtomContainer(int number) { in getAtomContainer() method in DebugSubstance
H A DDebugAtomContainerSet.java262 public IAtomContainer getAtomContainer(int number) { in getAtomContainer() method in DebugAtomContainerSet
/dports/science/cdk/cdk-cdk-2.3/tool/formula/src/main/java/org/openscience/cdk/tools/manipulator/
H A DMolecularFormulaManipulator.java1094 public static IAtomContainer getAtomContainer(IMolecularFormula formula) { in getAtomContainer() method in MolecularFormulaManipulator
1110 …public static IAtomContainer getAtomContainer(IMolecularFormula formula, IAtomContainer atomContai… in getAtomContainer() method in MolecularFormulaManipulator
1131 … public static IAtomContainer getAtomContainer(String formulaString, IChemObjectBuilder builder) { in getAtomContainer() method in MolecularFormulaManipulator