public class McgregorHelper
extends java.lang.Object
Modifier | Constructor and Description |
---|---|
protected |
McgregorHelper(boolean mappingCheckFlag,
int mappedAtomCount,
java.util.List<java.lang.Integer> mappedAtomsOrg,
int neighborBondNumA,
int neighborBondNumB,
java.util.List<java.lang.Integer> iBondNeighborAtomsA,
java.util.List<java.lang.Integer> iBondNeighborAtomsB,
java.util.List<java.lang.String> cBondNeighborsA,
java.util.List<java.lang.String> cBondNeighborsB,
int setNumA,
int setNumB,
java.util.List<java.lang.Integer> i_bond_setA,
java.util.List<java.lang.Integer> i_bond_setB,
java.util.List<java.lang.String> c_bond_setA,
java.util.List<java.lang.String> c_bond_setB)
Stores the variables
|
Modifier and Type | Method and Description |
---|---|
protected java.util.List<java.lang.String> |
getcBondNeighborsA() |
protected java.util.List<java.lang.String> |
getcBondNeighborsB() |
protected java.util.List<java.lang.String> |
getCBondSetA() |
protected java.util.List<java.lang.String> |
getCBondSetB() |
protected java.util.List<java.lang.Integer> |
getiBondNeighborAtomsA() |
protected java.util.List<java.lang.Integer> |
getiBondNeighborAtomsB() |
protected java.util.List<java.lang.Integer> |
getIBondSetA() |
protected java.util.List<java.lang.Integer> |
getIBondSetB() |
protected int |
getMappedAtomCount() |
protected java.util.List<java.lang.Integer> |
getMappedAtomsOrg() |
protected int |
getNeighborBondNumA() |
protected int |
getNeighborBondNumB() |
protected int |
getSetNumA() |
protected boolean |
isMappingCheckFlag() |
protected McgregorHelper(boolean mappingCheckFlag, int mappedAtomCount, java.util.List<java.lang.Integer> mappedAtomsOrg, int neighborBondNumA, int neighborBondNumB, java.util.List<java.lang.Integer> iBondNeighborAtomsA, java.util.List<java.lang.Integer> iBondNeighborAtomsB, java.util.List<java.lang.String> cBondNeighborsA, java.util.List<java.lang.String> cBondNeighborsB, int setNumA, int setNumB, java.util.List<java.lang.Integer> i_bond_setA, java.util.List<java.lang.Integer> i_bond_setB, java.util.List<java.lang.String> c_bond_setA, java.util.List<java.lang.String> c_bond_setB)
mappingCheckFlag
- mappedAtomCount
- mappedAtomsOrg
- neighborBondNumA
- neighborBondNumB
- iBondNeighborAtomsA
- iBondNeighborAtomsB
- cBondNeighborsA
- cBondNeighborsB
- setNumA
- setNumB
- i_bond_setA
- i_bond_setB
- c_bond_setA
- c_bond_setB
- protected java.util.List<java.lang.String> getCBondSetA()
protected java.util.List<java.lang.String> getCBondSetB()
protected boolean isMappingCheckFlag()
protected int getMappedAtomCount()
protected java.util.List<java.lang.Integer> getMappedAtomsOrg()
protected int getNeighborBondNumA()
protected int getNeighborBondNumB()
protected java.util.List<java.lang.Integer> getiBondNeighborAtomsA()
protected java.util.List<java.lang.Integer> getiBondNeighborAtomsB()
protected java.util.List<java.lang.String> getcBondNeighborsA()
protected java.util.List<java.lang.String> getcBondNeighborsB()
protected int getSetNumA()
protected java.util.List<java.lang.Integer> getIBondSetA()
protected java.util.List<java.lang.Integer> getIBondSetB()