Reference count error encountered in sipper.c

[lightdock]

Reference count error encountered in sipper.c

[maharjun]

I think a similar issue might be present in some of the other scoring functions that are coded manually in c (i.e. not via cython) e.g. sd.c. Please take a look at these cases.

AFAI can tell that behavior by numpy is extremely undocumented. I literally had to look at the source code to find out what was happenning. In-fact this API itself seems rather undocumented. All the documented APIs seem to require an integer type to be specified rather than a descriptor object.

[brianjimenez]

Thanks @maharjun for reporting this and for providing a solution! Indeed, this is something it was hidden during the tests execution and probably gone undetected for some time (I don't recall reading PyArray_AsCArray behavior on stealing descr reference, might be something added at some Numpy update?).

[brianjimenez]

Hi @maharjun , thanks again for your feedback. I've added your suggested patch to branch 0.9.2, including fixes for vdw and sd scoring functions. Please, let me know if it's working fine on your side.