add warning when mod not found #556
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Thanks! I appreciate how subtle and small your solution is :) |
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Thank you Peter! And thanks to @jan-stevens for help with fixing the tests :) |
| if mod_found == False: | ||
| LOGGER.warning('{} with resid {} not found. ' | ||
| 'No modification made.' | ||
| ''.format(resspec['resname'], resspec['resid'])) |
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Small problem actually. Not all resspecs need to have a resname or resid attribute. Might be better to format the respec like the CLI accepts it. You should be able to use _format_resname for that. Also that function has a bad bad name. Pretty sure that's my fault though.
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Thanks for the heads up on _format_resname, will update using that.
| modification = [({'resname': 'cter', 'resid': 3}, 'C-ter'), | ||
| ({'resname': 'nter', 'resid': 1}, 'N-ter')] |
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Right, as in the comment before, not all resspecs need a resid or resname. These for example don't need a resid; the 'nter' and 'cter' already have enough information to not need the resid or sane resname.
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weirdly, adding those resids seemed to be what fixed the tests before, but I just tried again with them removed and it looks like it works without? I think we thought it was overwriting the whole dictionary now, and that's why they were needed. Not sure what's happened there.
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This looks good to me! |
Addresses #553