public abstract class IGraphMatching
extends java.lang.Object
Constructor and Description |
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IGraphMatching() |
Modifier and Type | Method and Description |
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abstract org.openscience.cdk.interfaces.IAtomContainer |
getMatchedPart() |
abstract org.openscience.cdk.interfaces.IAtomContainer |
getRemainingEduct() |
abstract org.openscience.cdk.interfaces.IAtomContainer |
getRemainingProduct() |
abstract boolean |
mcsMatch(Holder holder,
boolean removeHydrogen,
java.lang.Integer I,
java.lang.Integer J,
java.util.BitSet eductFP,
java.util.BitSet prodFP) |
abstract int |
removeMatchedAtomsAndUpdateAAM(org.openscience.cdk.interfaces.IReaction reaction)
Removed matched part from the reaction
|
static void |
setMCSUpdationFlags(Holder holder,
int substrateIndex,
int productIndex) |
public static void setMCSUpdationFlags(Holder holder, int substrateIndex, int productIndex)
holder
- substrateIndex
- productIndex
- public abstract org.openscience.cdk.interfaces.IAtomContainer getMatchedPart()
public abstract org.openscience.cdk.interfaces.IAtomContainer getRemainingEduct()
public abstract org.openscience.cdk.interfaces.IAtomContainer getRemainingProduct()
public abstract boolean mcsMatch(Holder holder, boolean removeHydrogen, java.lang.Integer I, java.lang.Integer J, java.util.BitSet eductFP, java.util.BitSet prodFP)
holder
- Data holderremoveHydrogen
- I
- J
- eductFP
- prodFP
- public abstract int removeMatchedAtomsAndUpdateAAM(org.openscience.cdk.interfaces.IReaction reaction)
reaction
-