From: Egon W. <eg...@us...> - 2003-07-04 14:57:09
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/applications In directory sc8-pr-cvs1:/tmp/cvs-serv5475/src/org/openscience/cdk/applications Modified Files: FileConvertor.java Log Message: SDG should not make clone Index: FileConvertor.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/applications/FileConvertor.java,v retrieving revision 1.28 retrieving revision 1.29 diff -u -r1.28 -r1.29 --- FileConvertor.java 4 Jul 2003 14:52:17 -0000 1.28 +++ FileConvertor.java 4 Jul 2003 14:57:06 -0000 1.29 @@ -478,7 +478,6 @@ } private void write(Molecule molecule, String outputFilename) throws IOException { - Molecule writedMol = null; try { if (cow instanceof CMLWriter) { IDCreator.createAtomAndBondIDs(molecule); @@ -495,16 +494,14 @@ logger.info("Creating 2D coordinates"); StructureDiagramGenerator sdg = new StructureDiagramGenerator(); try { - sdg.setMolecule(molecule); + sdg.setMolecule(molecule, false); // false -> don't make clone! sdg.generateCoordinates(new Vector2d(0, 1)); - writedMol = sdg.getMolecule(); } catch (Exception exc) { System.out.println("Could not generate coordinates for this molecule."); System.exit(1); } } - if (writedMol == null) writedMol = molecule; - cow.write(writedMol); + cow.write(molecule); } catch (CDKException e) { logger.error("Cannot write Molecule: " + e.getMessage()); } |