On Thursday 09 February 2006 10:51, Egon Willighagen wrote: > If it's due to a bad format, I prefer not to fix it, though, it should > throw a better descriptive error message. Will do that.
Ok, in the end I did fix the problem, by detecting the situation where is cannot do the substring. Too lazy to make the PDBReader fully validating. Maybe it's time for a RFC (request for comments) on validating parsers! Anyway, for now, the PDBReader will throw WARNINGS to the logger then lines are not of the expected length of 80, and when a REMARK line is found without any remark. In both cases, the PDB reader should continue parsing. Egon -- [EMAIL PROTECTED] PhD student on Molecular Representation in Chemometrics Radboud University Nijmegen Blog: http://chem-bla-ics.blogspot.com/ http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 ------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Do you grep through log files for problems? Stop! Download the new AJAX search engine that makes searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=103432&bid=230486&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
