From: Egon W. <eg...@us...> - 2005-06-26 14:15:11
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/io In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv15413/src/org/openscience/cdk/io Modified Files: MDLWriter.java Log Message: Extended JavaDoc: added explicit assumption used by the class on how to write MDL and SDF files (closing #1227754) Index: MDLWriter.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLWriter.java,v retrieving revision 1.55 retrieving revision 1.56 diff -u -r1.55 -r1.56 --- MDLWriter.java 16 Jun 2005 12:02:38 -0000 1.55 +++ MDLWriter.java 26 Jun 2005 14:15:00 -0000 1.56 @@ -53,13 +53,21 @@ /** * Writes a molecule or an array of molecules to a MDL mol or SDF file. - * + * For writing a MDL molfile you can this code: * <pre> * MDLWriter writer = new MDLWriter(new FileWriter(new File("output.mol"))); * writer.write((Molecule)molecule); * writer.close(); * </pre> * + * <p>The <code>write(Molecule)</code> method cannot be used to write a MDL SDF + * file. Then you have to use code like this: + * <pre> + * MDLWriter writer = new MDLWriter(new FileWriter(new File("output.sdf"))); + * writer.write((SetOfMolecules)moleculeSet); + * writer.close(); + * </pre> + * * See {@cdk.cite DAL92}. * * @cdk.module io |