Re: [Avogadro-devel] Adjust hydrogens crash

[David L. <lon...@gm...>]

On Sat, Feb 18, 2012 at 12:26 PM, David Lonie <lon...@gm...> 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