public class CallableAtomMappingTool
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
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CallableAtomMappingTool(org.openscience.cdk.interfaces.IReaction reaction,
IStandardizer standardizer,
boolean removeHydrogen)
Takes a standardizer to standardize the reaction before mapping.
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Modifier and Type | Method and Description |
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java.util.Map<IMappingAlgorithm,Reactor> |
getSolutions() |
static void |
writeMappingRXN(Reactor reactor,
java.lang.String outputDirectoryName,
java.lang.String outFileName)
Creates mapping PDFs for all the processed reaction mappings
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public CallableAtomMappingTool(org.openscience.cdk.interfaces.IReaction reaction, IStandardizer standardizer, boolean removeHydrogen) throws java.lang.Exception
reaction
- standardizer
- removeHydrogen
- java.lang.Exception
public static void writeMappingRXN(Reactor reactor, java.lang.String outputDirectoryName, java.lang.String outFileName) throws java.lang.Exception
reactor
- outputDirectoryName
- outFileName
- java.lang.Exception
public java.util.Map<IMappingAlgorithm,Reactor> getSolutions()