Package org.openscience.cdk.interfaces

Examples of org.openscience.cdk.interfaces.IMapping

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    IAtom endAtom = null;
    if(closestAtom != null && closestAtom.getPoint2d().distance(worldCoord) < dH)
      endAtom = chemModelRelay.getClosestAtom(worldCoord);
    if(endAtom!=null && startAtom!=null){
      IMapping mapping = startAtom.getBuilder().newInstance(IMapping.class,startAtom, endAtom);
      // ok, now figure out if they are in one reaction
      IReaction reaction1 = ChemModelManipulator.getRelevantReaction(chemModelRelay.getIChemModel(), startAtom);
      IReaction reaction2 = ChemModelManipulator.getRelevantReaction(chemModelRelay.getIChemModel(), endAtom);
      if (reaction1 != null && reaction2 != null && reaction1 == reaction2)
      {
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Related Classes of org.openscience.cdk.interfaces.IMapping

  • org.openscience.jchempaint.controller.AtomAtomMappingModule
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