| Modifier and Type | Field and Description |
|---|---|
protected List<IAtomBase> |
AbstractMolecule.atoms |
| Modifier and Type | Method and Description |
|---|---|
IAtomBase |
IBondBase.getIAtom1() |
IAtomBase |
IBondBase.getIAtom2() |
protected IAtomBase |
AbstractChemistryManipulator.getNeighborAtom(IAtomBase rgroup) |
IAtomBase |
AbstractMolecule.getRGroupAtom(int groupId,
boolean rgatom) |
| Modifier and Type | Method and Description |
|---|---|
List<IAtomBase> |
AbstractMolecule.getIAtomArray() |
Map<String,IAtomBase> |
AbstractMolecule.getRgroups() |
| Modifier and Type | Method and Description |
|---|---|
protected abstract IBondBase |
AbstractChemistryManipulator.bindAtoms(IAtomBase atom1,
IAtomBase atom2) |
protected IAtomBase |
AbstractChemistryManipulator.getNeighborAtom(IAtomBase rgroup) |
protected abstract IStereoElementBase |
AbstractChemistryManipulator.getStereoInformation(AbstractMolecule container,
IAtomBase rGroup,
IAtomBase atom1,
IAtomBase atom2) |
abstract boolean |
AbstractMolecule.isSingleStereo(IAtomBase atom)
check a given atom connections
|
AbstractMolecule |
AbstractChemistryManipulator.merge(AbstractMolecule firstContainer,
IAtomBase firstRgroup,
AbstractMolecule secondContainer,
IAtomBase secondRgroup)
merges second molecule to first using given rGroups
|
void |
AbstractMolecule.removeAttachment(IAtomBase toRemove)
removes a given attachment from molecule
|
abstract void |
AbstractMolecule.removeINode(IAtomBase node) |
protected boolean |
AbstractChemistryManipulator.setStereoInformation(AbstractMolecule firstContainer,
IAtomBase firstRgroup,
AbstractMolecule secondContainer,
IAtomBase secondRgroup,
IAtomBase atom1,
IAtomBase atom2)
recycles and set stereo information on firstContaner
|
Copyright © 2016. All rights reserved.