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initialize_bonds bug #4

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kojima-r opened this issue Jul 16, 2021 · 1 comment
Open

initialize_bonds bug #4

kojima-r opened this issue Jul 16, 2021 · 1 comment

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@kojima-r
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https://github.com/clinfo/GraphGenerativeModel/blob/master/lib/data_structures.py#L220

"""
source_atom - sum(invalid_atoms[:source_atom]),
destination_atom - sum(invalid_atoms[:destination_atom]),
"""
should be used.
@vincrichard
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Thank you for the heads up. We will look into it and fix it for the next version.

vincrichard added a commit that referenced this issue Aug 31, 2021
@vincrichard
Merge pull request #4 from elix-tech/additional_functionality
2babfc5 
Additional functionality
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@kojima-r @vincrichard