removeHs=False #14
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removeHs=False #14
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Closed
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@yuanqing-wang is this still needed? It looks like #8 has been closed. |
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Reading the issue and the function doc string, seems to indecate we do want to keep the H. |
mikemhenry
approved these changes
Mar 8, 2023
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Could we add a test to make sure (1) we get the same number of charges as there are atoms, and (2) we throw an Exception if the input mol2 file does not have explicit hydrogens? |
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@yuanqing-wang : I think we still need some updates here before we can merge this. |
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to fix #8