From: Egon W. <eg...@us...> - 2004-01-27 15:23:57
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/io In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv2249/src/org/openscience/cdk/io Modified Files: MDLRXNReader.java Log Message: RXN reader now accepts ChemFile, so it can be used by FileConvertor Index: MDLRXNReader.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/io/MDLRXNReader.java,v retrieving revision 1.7 retrieving revision 1.8 diff -u -r1.7 -r1.8 --- MDLRXNReader.java 26 Jan 2004 08:55:02 -0000 1.7 +++ MDLRXNReader.java 27 Jan 2004 15:22:37 -0000 1.8 @@ -86,6 +86,12 @@ reactionSet.addReaction(readReaction()); model.setSetOfReactions(reactionSet); return model; + } else if (object instanceof ChemFile) { + ChemFile chemFile = new ChemFile(); + ChemSequence sequence = new ChemSequence(); + sequence.addChemModel((ChemModel)read(new ChemModel())); + chemFile.addChemSequence(sequence); + return chemFile; } else { throw new CDKException("Only supported are Reaction and ChemModel, and not " + object.getClass().getName() + "." @@ -98,6 +104,8 @@ return true; } else if (object instanceof ChemModel) { return true; + } else if (object instanceof ChemFile) { + return true; } return false; } |