On Fri, Mar 8, 2013 at 6:57 AM, Kirill Okhotnikov
<[email protected]> wrote:
> Dear Avogadro developers,
>
> I want to use Avogadro in my project to visualize molecules and crystal
> structures. In my project, I'm using Eigen3 library, so I decide to get
> into Avogadro code and change it to support Eigen3 API.
>
> I did step-by-step migration, like described here.
> http://eigen.tuxfamily.org/dox/Eigen2SupportModes.html and came to stage
> EIGEN2_SUPPORT_STAGE40_FULL_EIGEN3_STRICTNESS, meaning that new code
> should follow 100%  Eigen3 API, but in old code still function
> compatible with eigen2 exists ("eigen2_" prefix)
>
> I have only one part of code, which is not working like before.
> computeGeomInfo() in molecule.cpp
>
> In Eigen3 library LeastSquares module was excluded, so I should write
> the code for the fitting by myself. The investigation of the code showed
> one problematic part.
>
Is there a topic branch somewhere? That code is pretty old, and could
be rewritten. I haven't used the porting API but it would be nice to
move to Eigen 3 if it is not too difficult, the Avogadro 2 code is
using Eigen 3 too, along with most new code bases. Seeing the impact
of the change would be nice as I haven't tried porting Avogadro.

Thanks,

Marcus

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