Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024
Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←117c5905cf75f824c61de90be84216622aa3bd40
Updated Ligand Motifs Code
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Merge commit message:
currently reverting the change in this script, because I can not find an
elegant way to make the proposed fix. The input vector from options is
of int type, and it in theory should be set to core::Size because the
values here should not be negative. This means converting the input
vector from int to unsigned int (Size), and that can not be performed
directly. The current method does create an extra vector that is only
used for the purpose of reading in. I could attempt an alternative
solution, such as iterating over a loop from the input to add the values
to the array.