Package | Description |
---|---|
uk.ac.ebi.reactionblast.stereo.compare |
Modifier and Type | Method and Description |
---|---|
static WedgeStereoComparisonResult |
WedgeStereoComparisonTool.compare(org.openscience.cdk.interfaces.IAtom atomA,
org.openscience.cdk.interfaces.IAtomContainer atomContainerA,
org.openscience.cdk.interfaces.IAtom atomB,
org.openscience.cdk.interfaces.IAtomContainer atomContainerB,
WedgeStereoLifter lifter) |
Modifier and Type | Method and Description |
---|---|
static java.util.List<WedgeStereoComparisonResult> |
WedgeStereoComparisonTool.compare(org.openscience.cdk.interfaces.IAtomContainer atomContainerA,
org.openscience.cdk.interfaces.IAtomContainer atomContainerB,
java.util.Map<java.lang.Integer,java.lang.Integer> equivMap)
Compare a (mapped) pair of atom containers to check that they have the same stereo centers.
|
static java.util.List<WedgeStereoComparisonResult> |
WedgeStereoComparisonTool.compare(org.openscience.cdk.interfaces.IReaction reaction) |