Fix _assign_element to deal with 4 characters atom with last number. #4645
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eunos-1128
changed the title
_assign_element to deal with 4 characters atom with last number_assign_element to deal with atoms with 4 characters name with last number
eunos-1128
changed the title
_assign_element to deal with atoms with 4 characters name with last number_assign_element to deal with atoms with 4 characters name having last number
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Thanks for catching, reporting, and providing a fix for the issue - home run! Could I trouble you to add a unit test that covers this type of case so that we can track it in the future and prevent regressions? You can modify one of the existing PDB files in the test suite for that, no need to add a new one (or just make a synthetic example). |
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Of course, I'll add a unit test. |
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eunos-1128
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_assign_element to deal with atoms with 4 characters name having last number
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Closes #4644