Package | Description |
---|---|
uk.ac.ebi.reactionblast.mechanism | |
uk.ac.ebi.reactionblast.mechanism.helper | |
uk.ac.ebi.reactionblast.mechanism.interfaces |
Modifier and Type | Method and Description |
---|---|
java.util.Collection<MoleculeMoleculePair> |
BondChangeCalculator.getReactionCentreTransformationPairs() |
Modifier and Type | Method and Description |
---|---|
int |
MoleculeMoleculePair.compare(MoleculeMoleculePair o1,
MoleculeMoleculePair o2) |
int |
MoleculeMoleculePair.compareTo(MoleculeMoleculePair o) |
Modifier and Type | Method and Description |
---|---|
protected static MoleculeMoleculePair |
AbstractChangeCalculator.getMolMolPair(org.openscience.cdk.interfaces.IAtom reactantAtom,
org.openscience.cdk.interfaces.IAtom productAtom,
org.openscience.cdk.interfaces.IAtomContainer atomContainerR,
org.openscience.cdk.interfaces.IAtomContainer atomContainerP) |
Modifier and Type | Method and Description |
---|---|
abstract java.util.Collection<MoleculeMoleculePair> |
AbstractChangeCalculator.getReactionCentreTransformationPairs()
Return the list of Molecule Molecule Transformation List
|