Examples of RGroupQueryWriter

Examples of org.openscience.cdk.io.RGroupQueryWriter

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            outFile = new File(fileName);
        }
        outFile=new File(fileName);
       
        if(saveAsRgrpQuery) {
          cow = new RGroupQueryWriter(new FileWriter(outFile));
         
          boolean problem=false;
          String message="";
          jcpPanel.get2DHub().getRGroupHandler().cleanUpRGroup(jcpPanel.get2DHub().getChemModel().getMoleculeSet());
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Examples of org.openscience.cdk.io.RGroupQueryWriter

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        StringWriter sw = new StringWriter();
        org.openscience.cdk.interfaces.IChemModel som = theJcpp.getChemModel();

      if (theJcpp.get2DHub().getRGroupHandler()!=null) {
        RGroupQueryWriter rgw = new RGroupQueryWriter (sw);
        rgw.write(theJcpp.get2DHub().getRGroupHandler().getrGroupQuery());
      }
      else {
            MDLV2000Writer mdlwriter = new MDLV2000Writer(sw);
            mdlwriter.write(som);
      }
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