Bugs item #3463466, was opened at 2011-12-21 10:01 Message generated for change (Settings changed) made by ghutchis You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3463466&group_id=165310
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Commands / Extensions Group: v 1.1.0 Status: Open Resolution: Accepted >Priority: 9 Private: No Submitted By: David Lonie (mr_grieves) Assigned to: Geoff Hutchison (ghutchis) Summary: Crash adding hydrogen Initial Comment: To reproduce: 1) Load attached confcrash.xyz 2) Perform a systematic conformer search using the ff extension 3) Add a hydrogen to the oxygen with the single C-O bond 4) Crash ---------------------------------------------------------------------- Comment By: David Lonie (mr_grieves) Date: 2011-12-21 10:06 Message: Actually, the conformer search can be skipped -- the real issue is whether the Adjust Hydrogens box is checked. If checked, adding the hydrogen will crash: Qt has caught an exception thrown from an event handler. Throwing exceptions from an event handler is not supported in Qt. You must reimplement QApplication::notify() and catch all exceptions there. terminate called after throwing an instance of 'std::bad_alloc' what(): std::bad_alloc The backtrace is useless, this may be a bit tricky to track down. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=835077&aid=3463466&group_id=165310 ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
