Examples of areRootAtomsDefined()


Examples of org.openscience.cdk.isomorphism.matchers.IRGroupQuery.areRootAtomsDefined()

         
          boolean problem=false;
          String message="";
          jcpPanel.get2DHub().getRGroupHandler().cleanUpRGroup(jcpPanel.get2DHub().getChemModel().getMoleculeSet());

          if(!rGroupQuery.areRootAtomsDefined()) {
                message = GT.get("The R-group Query is not valid: there are substitutes that have no corresponding atom in the root structure.");
                problem=true;
          }
          if(!rGroupQuery.areSubstituentsDefined()) {
                message = GT.get("The R-group Query is not valid: the root structure has R# definitions for which no substitutes are defined.");
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