public final class RuleBasedMappingHandler
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
---|
RuleBasedMappingHandler(Holder matrixHolder,
java.util.List<java.lang.String> EdMapOrignal,
java.util.List<java.lang.String> PdMapOrignal) |
Modifier and Type | Method and Description |
---|---|
Holder |
getMatrixHolder() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsAcetyl_CoA() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsADP() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsATP() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsC00003() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsC00004() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsC00005() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsC00006() |
org.openscience.cdk.interfaces.IAtomContainer |
getSmartsCoA() |
boolean |
isMatchFound() |
public RuleBasedMappingHandler(Holder matrixHolder, java.util.List<java.lang.String> EdMapOrignal, java.util.List<java.lang.String> PdMapOrignal) throws org.openscience.cdk.exception.CDKException, java.io.IOException
matrixHolder
- EdMapOrignal
- PdMapOrignal
- org.openscience.cdk.exception.CDKException
java.io.IOException
public Holder getMatrixHolder()
public boolean isMatchFound()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsATP()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsADP()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsCoA()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsAcetyl_CoA()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsC00003()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsC00006()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsC00004()
public org.openscience.cdk.interfaces.IAtomContainer getSmartsC00005()