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mittinatten / freesasa

C-library for calculating Solvent Accessible Surface Areas
http://freesasa.github.io/
MIT License
105 stars 37 forks source link

Add support for numpy arrays #14

Closed mittinatten closed 7 years ago

mittinatten commented 7 years ago

For the Python interface: Add a new function similar to calcCoord() that takes numpy arrays as arguments.

mittinatten commented 7 years ago

Turns out this is hard to do in an elegant way without making NumPy a dependency (need to have access numpy C headers). It is more important to keep the number of dependencies low than adding this functionality at the moment.