From: Egon W. <ego...@gm...> - 2011-02-26 09:36:43
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On Fri, Feb 25, 2011 at 1:20 PM, <ma...@eb...> wrote: > Looks like a patch for Jchempaint, it's not mine so I don't know the > details. But the only implication would probably be a visual one. I don't > think undoing it should break anything. But then to be consistent, the > reader should not read valency either (unless it produces a query > molecule?) Yes, I guess so too. Should be possible if we refactor the code a bit, to have a MDL/Symyx API, for the various blocks: IAtom cdk.io.mdl.MolFileParser.readAtom(String line) IAtom cdk.io.mdl.QueryFileParser.readAtom(String line) { MolFileParser.readAtom(line); // parse the query stuff } then the Readers can simply call these methods and share code. Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers |