This bug is now fixed in r4494. Thanks for reporting. Your patch relies on implementation details of the iterators which may change in future, so instead created a temporary vector in the first loop, and then deleted the atoms in the vector.
- Noel On 27 May 2011 13:28, My Th <rei4...@gmail.com> wrote: > I think what I'm doing in that patch is legal and well defined. > > DeleteAtom basically does this: > _vatom.erase(_vatom.begin()+(atom->GetIdx()-1)); > > where _vatom is a vector of pointers to atoms. When the element of the > vector is deleted then all the iterators and references to elements > __after__ the position of the removed element become invalid. So if I > decrement the iterator back to the last unchanged position and then > increment it again it should point to the next element after the removed > one, and it does. > > > Reinis > > Pk, 2011-05-27 12:49 +0100, Noel O'Boyle rakstīja: >> Regarding Patch 3196285, AFAIK, all of our iterators are undefined >> when you call DeleteAtom (this is a C++ idiom). The recommended way of >> doing this is to append the atom to be deleted to a vector, and then >> delete all members of the vector once the loop is over. >> >> Anyone else? >> >> - Noel >> >> On 27 May 2011 12:14, My Th <rei4...@gmail.com> wrote: >> > Hi! >> > >> > A while ago I posted these patches in the tracker: >> > https://sourceforge.net/tracker/?func=detail&aid=3196280&group_id=40728&atid=428742 >> > https://sourceforge.net/tracker/?func=detail&aid=3196285&group_id=40728&atid=428742 >> > >> > The first one fixes indexing in obutil.cpp::InternalToCartesian(), the >> > second one fixes removal of dummy atoms in the same function. >> > >> > Before the code for removing dummy atoms never was executed and dummy >> > atoms were not removed. These patches fixes that, so the dummy atoms are >> > removed when the function obutil.cpp::InternalToCartesian() is called. >> > >> > These patches still are not committed. Is there some technical reason >> > for that? Could they be applied before the next point release of OB? >> > >> > >> > Regards, >> > Reinis >> > >> > >> > ------------------------------------------------------------------------------ >> > vRanger cuts backup time in half-while increasing security. >> > With the market-leading solution for virtual backup and recovery, >> > you get blazing-fast, flexible, and affordable data protection. >> > Download your free trial now. >> > http://p.sf.net/sfu/quest-d2dcopy1 >> > _______________________________________________ >> > OpenBabel-Devel mailing list >> > OpenBabel-Devel@lists.sourceforge.net >> > https://lists.sourceforge.net/lists/listinfo/openbabel-devel >> > > > > ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
