[3] Prepare support for multiple backmapping protocols #340
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fgrunewald
reviewed
Aug 15, 2023
fgrunewald
requested changes
Aug 15, 2023
fgrunewald
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fgrunewald
requested changes
Aug 21, 2023
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| def __init__(self, fudge_coords=0.4, bmode='automatic', *args, **kwargs): | ||
| super().__init__(*args, **kwargs) | ||
| self.fudge_coords = fudge_coords | ||
| self.bmode = bmode |
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add docstring for the two variables
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This PR prepares the code to support multiple backmapping protocols with small changes. The main goal is to take out Polyply's default backmapping protocol from the 'Backmap' class and make it a standalone protocol (i.e. orient_by_bonds).