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Combined #100 and #139 plus equivalent functionality in main.cpp #146

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merged 6 commits into from
Oct 28, 2022

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Here we are merging #139, which prevents the Python process from exiting in case a ligand fails reading, as well as adding the equivalent functionality to main.cpp, to skip ligands when using the --batch option, instead of exiting with pdbqt_parse_error.

The code from #100 is not merged (it implements the same idea #139, but with a custom error). It's "merged" simply to keep it in the commit graph.

everburstSun and others added 5 commits April 8, 2022 08:23
Here we are keeping the code from PR #139 from shazj99,
but PR #100 implemented similar code to catch errors in
Python when the PDBQT parser fails a ligand. PR #100 is
more complex because it creates a custom error.
@diogomart diogomart merged commit 48c7c67 into develop Oct 28, 2022
@diogomart diogomart deleted the parse_pdbqt branch June 15, 2023 23:15
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2 participants