Package | Description |
---|---|
org.openscience.smsd | |
org.openscience.smsd.algorithm.vflib.seeds | |
org.openscience.smsd.interfaces |
Constructor and Description |
---|
Isomorphism(org.openscience.cdk.interfaces.IAtomContainer query,
org.openscience.cdk.interfaces.IAtomContainer target,
Algorithm algorithmType,
boolean bondTypeFlag,
boolean matchRings,
boolean matchAtomType)
Initialize query and target molecules.
|
Isomorphism(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query,
org.openscience.cdk.interfaces.IAtomContainer target,
Algorithm algorithmType)
Initialize query and target molecules.
|
Constructor and Description |
---|
MCSSeedGenerator(org.openscience.cdk.interfaces.IAtomContainer source,
org.openscience.cdk.interfaces.IAtomContainer target,
boolean bondMatch,
boolean ringMatch,
boolean matchAtomType,
Algorithm algorithm) |
MCSSeedGenerator(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer source,
org.openscience.cdk.interfaces.IAtomContainer target,
Algorithm algorithm) |
Modifier and Type | Method and Description |
---|---|
static Algorithm |
Algorithm.valueOf(java.lang.String name)
Returns the enum constant of this type with the specified name.
|
static Algorithm[] |
Algorithm.values()
Returns an array containing the constants of this enum type, in
the order they are declared.
|