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Bug/bindings fulfill requirements #10

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@danny305 danny305 commented Jul 7, 2021

This fixes the bug in issue #9.

I will submit a different PR for the python bindings for writing cif files.

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krab1k commented Jul 13, 2021

Ah, I remember now why I put fulfill_requirements in the init! In Python, you can call calculate_charges multiple times and the fulfill_requirements would be executed again. The solution should check what requirements are already initialized and only do the rest.

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