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simplify reaction copy in ChemicalTransformation node (#87)
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org.rdkit.knime.nodes/src/org/rdkit/knime/nodes/chemicaltransformation/RDKitChemicalTransformationNodeModel.java

Lines changed: 1 addition & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -516,12 +516,7 @@ protected ChemicalReaction[] createResource() {
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final ChemicalReaction[] arrCopy = new ChemicalReaction[m_arrReactions.length];
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for (int i = 0; i < m_arrReactions.length; i++) {
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if (m_bIsSmartsInput) {
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arrCopy[i] = markForCleanup(ChemicalReaction.ReactionFromSmarts(ChemicalReaction.ReactionToSmarts(m_arrReactions[i])));
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}
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else {
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arrCopy[i] = markForCleanup(ChemicalReaction.ReactionFromRxnBlock(ChemicalReaction.ReactionToRxnBlock(m_arrReactions[i])));
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}
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arrCopy[i] = markForCleanup(new ChemicalReaction(m_arrReactions[i]));
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}
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return arrCopy;

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