On Sat, Feb 18, 2012 at 12:26 PM, David Lonie <[email protected]> wrote: > I set a breakpoint in > AdjustHydrogensPreCommand::AdjustHydrogensPreCommand(Molecule*, uint > atomId) to try to see what was happening, and found something very > odd: > > atomId 19 unsigned long > molecule 0x3084290 Avogadro::Molecule > m_atomConformers <1 > items> std::vector<std::vector<Eigen::Matrix<double, 3, 1, 2, 3, 1>>*> > m_atomList <20 items> QList<Avogadro::Atom*> > m_atomPos <21 items> @0x91c690 > std::vector<Eigen::Matrix<double, 3, > 1, 2, 3, 1>> > m_atoms <21 items> std::vector<Avogadro::Atom*> > m_bondList <19 items> QList<Avogadro::Bond*> > m_bonds <20 items> std::vector<Avogadro::Bond*> > > The lists and vectors are out of sync. Is this supposed to happen at > this point of the drawing process?
Also, the atom at index 19 that needs hydrogens adjusted is NULL... Dave ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ Avogadro-devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-devel
