Bob Hanson wrote: > Bob Hanson wrote: > > >> I think this in the category of file that Egon thinks is old enough to >> just ignore. >> Nicolas Vervelle wrote: >> >> >> >> >>> The last two problems with Jmol-datafiles: >>> >>> Error: ..\Jmol-datafiles\cml\nsc244a.cml - >>> Error: ERROR IN XmlReader.parseReaderXML - org.xml.sax.SAXParseException >>> - The element type "molecule" must be terminated by the matching end-tag >>> "</molecule>". >>> >>> >>> >>> >>> >>> >> I'm not getting that error, but I do get: >> >> SmarterJmolAdapter:XmlReader thinks:unidentified xml >> >> >> >> > Leave the file -- I changed the reader to default to CML. >
In fact, the file is broken: the bondarray tag is closed twice: <bondarray ... /></bondarray> I just fixed it. > > >>> Error: ..\Jmol-datafiles\gamess\substrate.log - >>> Error: java.lang.ArrayIndexOutOfBoundsException - 6 >>> >>> >>> >>> > I read that file just fine. I'll presume that it was a problem with the > reader that I fixed already. Please clean build and try that again. The > file has 300 molecular orbitals! > The problem is still here. I just changed the JUnit test to get more details. Here's the call stack (if you want to run the test yourself, select TestSmaterJmolAdapter and Run As -> JUnit test) Error: [..\Jmol-datafiles\gamess\substrate.log] java.lang.ArrayIndexOutOfBoundsException - 6 org.jmol.adapter.smarter.GamessReader - 234 - readMolecularOrbitals org.jmol.adapter.smarter.GamessReader - 69 - readAtomSetCollection org.jmol.adapter.smarter.Resolver - 64 - resolve org.jmol.adapter.smarter.Resolver - 37 - resolve org.jmol.adapter.smarter.SmarterJmolAdapter - 80 - openBufferedReader org.jmol.adapter.smarter.TestSmarterJmolAdapter - 300 - checkOpenFile org.jmol.adapter.smarter.TestSmarterJmolAdapter - 236 - checkDirectory org.jmol.adapter.smarter.TestSmarterJmolAdapter - 93 - testGamess Nico ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
