On Thu, 2002-10-31 at 10:34, E.L. Willighagen wrote: > On Wednesday 30 October 2002 19:38, Fabian Dortu wrote: > > Hi Egon, > > > > To add crystal support for CML files, the easiest way would be to code > > it in Convention.java of JCFL. JCFL is used by Jmol, right? > > Yes, though it uses the version in CDK... Events are passed to JMolCDO > with object name "a-axes" and some property name (do not remember the exact > names at this moment...) And, actually, the adapted Jmol version for viewing > crystals which I had up for download some time ago (about which we had > contact) already has the code... > > > Then JMolCDO.java will be straightforward to modify. > > Yes, it is... It's about 15 minutes work...(including testing..) If you think > it would take you longer, I can do it if you like... let me know.
Actually, it is not as straighforward due to my implementation of crystal stuffs. Indeed, JMolCDO returns a ChemFrame but crystal info is stored in a CrystalFile and the ChemFrames are generated based on this info. In other words, it would be easier if JMolCDO had a reference to the ChemFile. The code would look like this: CMLReader.java -------------- ... ChemFile file; //not instanciated JMolCDO cdo = new JMolCDO(file); ... return file; JMolCDO.java ------------ Depending if we have crystal info or not, a CrystalFile or a ChemFile is instanciated and information is filled in it. What do you think of it? > > Egon > -- ********** Fabian Dortu Phone : 32-475-599268 e-mail : [EMAIL PROTECTED] ***********************************************
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