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Static Public Member Functions

org::openscience::cdk::tools::manipulator::ChemModelManipulator Class Reference

List of all members.

Static Public Member Functions

static IAtomContainer createNewMolecule (IChemModel chemModel)
static List< IAtomContainergetAllAtomContainers (IChemModel chemModel)
static List< IChemObjectgetAllChemObjects (IChemModel chemModel)
static List< String > getAllIDs (IChemModel chemModel)
static int getAtomCount (IChemModel chemModel)
static int getBondCount (IChemModel chemModel)
static IAtomContainer getRelevantAtomContainer (IChemModel chemModel, IBond bond)
static IAtomContainer getRelevantAtomContainer (IChemModel chemModel, IAtom atom)
static IReaction getRelevantReaction (IChemModel chemModel, IAtom atom)
static IChemModel newChemModel (IAtomContainer atomContainer)
static void removeAtomAndConnectedElectronContainers (IChemModel chemModel, IAtom atom)
static void removeElectronContainer (IChemModel chemModel, IElectronContainer electrons)
static void setAtomProperties (IChemModel chemModel, Object propKey, Object propVal)

Detailed Description

Class with convenience methods that provide methods from methods from ChemObjects within the ChemModel. For example:

 ChemModelManipulator.removeAtomAndConnectedElectronContainers(chemModel, atom);

will find the Atom in the model by traversing the ChemModel's MoleculeSet, Crystal and ReactionSet fields and remove it with the removeAtomAndConnectedElectronContainers(Atom) method.

.module standard .githash

See also:

Definition at line 63 of file ChemModelManipulator.java.

The documentation for this class was generated from the following file:

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