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Remove dead writeMappingRXN method from CallableAtomMappingTool
1 parent 95b6640 commit c23cdda

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src/main/java/com/bioinceptionlabs/reactionblast/mapping/CallableAtomMappingTool.java

Lines changed: 0 additions & 28 deletions
Original file line numberDiff line numberDiff line change
@@ -18,12 +18,7 @@
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*/
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package com.bioinceptionlabs.reactionblast.mapping;
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import java.io.File;
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import static java.io.File.separator;
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import java.io.FileWriter;
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import java.io.Serializable;
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import static java.lang.String.valueOf;
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import static java.lang.System.currentTimeMillis;
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import static java.lang.System.getProperty;
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import static java.util.Collections.unmodifiableMap;
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import java.util.EnumMap;
@@ -47,7 +42,6 @@
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import static com.bioinceptionlabs.reactionblast.mapping.IMappingAlgorithm.MIN;
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import static com.bioinceptionlabs.reactionblast.mapping.IMappingAlgorithm.MIXTURE;
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import static com.bioinceptionlabs.reactionblast.mapping.IMappingAlgorithm.RINGS;
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import com.bioinceptionlabs.reactionblast.tools.ChemicalFileIO.MDLV2000RXNWriter;
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/**
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*
@@ -63,28 +57,6 @@ public class CallableAtomMappingTool implements Serializable {
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= createLoggingTool(CallableAtomMappingTool.class);
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private static final long serialVersionUID = 0x29e2adb1716b13eL;
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/**
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* Creates mapping PDFs for all the processed reaction mappings
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*
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* @param reactor
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* @param outputDirectoryName
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* @param outFileName
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* @throws Exception
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*/
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public static void writeMappingRXN(Reactor reactor, String outputDirectoryName, String outFileName) throws Exception {
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String reactionID = reactor.getReactionWithAtomAtomMapping().getID();
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IReaction mappedReaction = reactor.getReactionWithAtomAtomMapping();
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if (reactionID == null) {
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reactionID = valueOf(currentTimeMillis());
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reactor.getReactionWithAtomAtomMapping().setID(reactionID);
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}
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String outputFile = outputDirectoryName;
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outputFile += separator + outFileName;
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try (MDLV2000RXNWriter rxnW = new MDLV2000RXNWriter(new FileWriter(new File(outputFile)))) {
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rxnW.write(mappedReaction);
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}
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}
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private Map<IMappingAlgorithm, Reactor> solution = null;
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/**

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