[Cdk-devel] Question on StructureDiagramGenerator

[Egon W. <el...@ca...>]

 Hi all,

I am using the StructureDiagramGenerator to generate coordinates like:

                    Molecule mol = mols[i];
                    if (mol != null) {
                        try {
                            sdg.setMolecule(mol);
                            sdg.generateCoordinates(new Vector2d(0,1));
                            newsom.addMolecule(sdg.getMolecule());
                        } catch (Exception exc) {
                            logger.error("Could not generate coordinates for 
molecule: " + i);
                            logger.error(exc.toString());
                            exc.printStackTrace();
                            newsom.addMolecule(mol);
                        }
                    } else {
                        logger.error("Molecule is null! Cannot do layout!");
                    }

This works without exceptions, but the coordinates are too small...
in the range of [0,10], which makes it impossible to use it in JChemPaint...

Suggestions?

Egon