Uses of Class
org.helm.chemtoolkit.AbstractMolecule

Uses of AbstractMolecule in org.helm.chemtoolkit

Methods in org.helm.chemtoolkit that return AbstractMolecule

Modifier and Type	Method and Description
abstract AbstractMolecule	AbstractMolecule.cloneMolecule()
abstract AbstractMolecule	AbstractChemistryManipulator.getMolecule(String smiles, AttachmentList attachments) returns a molecule i)nstance of AbstractMolecule
AbstractMolecule	AbstractChemistryManipulator.merge(AbstractMolecule firstContainer, IAtomBase firstRgroup, AbstractMolecule secondContainer, IAtomBase secondRgroup) merges second molecule to first using given rGroups

Methods in org.helm.chemtoolkit with parameters of type AbstractMolecule

Modifier and Type	Method and Description
abstract String	AbstractChemistryManipulator.convertMolecule(AbstractMolecule container, AbstractChemistryManipulator.StType type) produces chemical notation for input molecule
abstract MoleculeInfo	AbstractChemistryManipulator.getMoleculeInfo(AbstractMolecule container) returns molecule info like molecular formula,exact mass and molecular weight
protected abstract IStereoElementBase	AbstractChemistryManipulator.getStereoInformation(AbstractMolecule container, IAtomBase rGroup, IAtomBase atom1, IAtomBase atom2)
AbstractMolecule	AbstractChemistryManipulator.merge(AbstractMolecule firstContainer, IAtomBase firstRgroup, AbstractMolecule secondContainer, IAtomBase secondRgroup) merges second molecule to first using given rGroups
protected AttachmentList	AbstractChemistryManipulator.mergeAttachments(AbstractMolecule container, AbstractMolecule secondContainer)
protected boolean	AbstractChemistryManipulator.setStereoInformation(AbstractMolecule firstContainer, IAtomBase firstRgroup, AbstractMolecule secondContainer, IAtomBase secondRgroup, IAtomBase atom1, IAtomBase atom2) recycles and set stereo information on firstContaner