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locsmith / xcamshift

xcamshift - a port of the camshift chemical shift force-field for xplor-nih
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Error message in compilation of Cython_shift_calculator.pyx #60

Closed htal2 closed 9 years ago

htal2 commented 9 years ago

I got the following message from cythoning Cython_shift_calculator.pyx to Cython_shift_calculator.cpp:

((FileSourceDescriptor:/import/bc2/home/guest/grzesiek/leung/software/xcamshift/xcamshift/src/cython2/Cython_shift_calculator.pyx, 1831, 86), u"Cannot convert 'Non_bonded_targetcomponent *' to Python object") ((FileSourceDescriptor:/import/bc2/home/guest/grzesiek/leung/software/xcamshift/xcamshift/src/cython2/Cython_shift_calculator.pyx, 1834, 86), u"Cannot convert 'Non_bonded_remote_atomcomponent *' to Python object") ((FileSourceDescriptor:/import/bc2/home/guest/grzesiek/leung/software/xcamshift/xcamshift/src/cython2/Cython_shift_calculator.pyx, 1856, 40), u"Cannot convert Python object to 'Vec3'") ((FileSourceDescriptor:/import/bc2/home/guest/grzesiek/leung/software/xcamshift/xcamshift/src/cython2/Cython_shift_calculator.pyx, 1870, 40), u"Cannot convert Python object to 'Vec3'")

It seems like the compiler was complaining about _bytes_to_target_components in

cdef int num_target_components = self._bytes_to_target_components(atom_list_1,&target_components)

not being defined. So I swapped the position of class New_fast_non_bonded_calculator and class Fast_non_bonded_calculator (which has _bytes_to_target_components defined). The compilation works after swapping the two classes.

locsmith commented 9 years ago

fixed and closed by cecc50d5c2bc1b91ce5f16627675b5c4094eb3ab