List of layoutRgroup() Examples

Examples of layoutRgroup()

org.openscience.jchempaint.rgroups.RGroupHandler.layoutRgroup()
Changes atom coordinates so that the substitutes of the R-group are lined up underneath the root structure, resulting in a clear presentation. Method intended to be used after reading an external R-group files (RG files), overriding the coordinates in the file. @param RgroupQuery @throws CDKException

Examples of org.openscience.jchempaint.rgroups.RGroupHandler.layoutRgroup()

            try{
              chemModel = new ChemModel();
              RGroupHandler rgHandler =  new RGroupHandler(rgroupQuery, panel);
              panel.get2DHub().setRGroupHandler(rgHandler);
              chemModel.setMoleculeSet(rgHandler.getMoleculeSet(chemModel));
              rgHandler.layoutRgroup();
              
            } catch (Exception exception) {
              error = "Error while reading file: " + exception.getMessage();
              exception.printStackTrace();
            }

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Examples of org.openscience.jchempaint.rgroups.RGroupHandler.layoutRgroup()

                    IRGroupQuery rgroupQuery = (RGroupQuery) reader.read(new RGroupQuery(DefaultChemObjectBuilder.getInstance()));
                chemModel = new ChemModel();
                RGroupHandler rgHandler =  new RGroupHandler(rgroupQuery, this.jcpPanel);
                this.jcpPanel.get2DHub().setRGroupHandler(rgHandler);
                chemModel.setMoleculeSet(rgHandler.getMoleculeSet(chemModel));
                rgHandler.layoutRgroup();
                
                  }


                } catch (CDKException e1) {
                    e1.printStackTrace();

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