public class RXNFileManipulator extends BasicDebugger
Constructor and Description |
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RXNFileManipulator() |
Modifier and Type | Method and Description |
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org.openscience.cdk.interfaces.IReaction |
process(java.io.File rxnFile) |
org.openscience.cdk.interfaces.IReaction |
processIntEnz(java.io.File rxnFile) |
org.openscience.cdk.interfaces.IReaction |
processMACiE(java.io.File rxnFile) |
printAtomAtomMapping, printAtoms, printMolecule, printReaction
public org.openscience.cdk.interfaces.IReaction process(java.io.File rxnFile) throws java.lang.Exception
rxnFile
- java.lang.Exception
public org.openscience.cdk.interfaces.IReaction processMACiE(java.io.File rxnFile) throws java.lang.Exception
rxnFile
- java.lang.Exception
public org.openscience.cdk.interfaces.IReaction processIntEnz(java.io.File rxnFile) throws java.lang.Exception
rxnFile
- java.lang.Exception