locsmith / xcamshift

xcamshift - a port of the camshift chemical shift force-field for xplor-nih
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component lists need to output native formats #34

Open locsmith opened 11 years ago

locsmith commented 11 years ago

because components lists are used natively in the cython implementation they need to be able output arrays of records for the components being used. This will allow the on the fly compilation of components in the _set_components methods in the cython implementation to be removed and more optimisations to be applied....