- getAllAtomContainers
- getAtomCount
Get the total number of atoms inside an IChemModel.
- getBondCount
Get the total number of bonds inside an IChemModel.
- getAllChemObjects
Retrieve a List of all ChemObject objects within an IChemModel.
- getRelevantAtomContainer
Retrieves the first IAtomContainer containing a given IBond from an IChemModel.
- getRelevantReaction
Retrieves the first IReaction containing a given IAtom from an IChemModel.
- newChemModel
Create a new ChemModel containing an IAtomContainer. It will create an
IAtomContainer from the passe
- removeAtomAndConnectedElectronContainers
Remove an Atom and the connected ElectronContainers from all AtomContainers
inside an IChemModel.
- removeElectronContainer
Remove an ElectronContainer from all AtomContainers inside an IChemModel.
- createNewMolecule
Adds a new Molecule to the MoleculeSet inside a given ChemModel. Creates a
MoleculeSet if none is co
- setAtomProperties
Sets the AtomProperties of all Atoms inside an IChemModel.