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@joaomcteixeira joaomcteixeira commented Jun 13, 2022

You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and you comply with the following criteria:

  • You have stick to Python. Talk with us before adding other programming languages to HADDOCK3
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The original implementation for reading md5 hashes from REMARK lines was loose and caused errors in some structures with more complex REMARK lines. This PR corrects this behaviour by adding a robust checking and reading of md5 hashes and assigning them to MODELs.

Previous tests pass.

scoring examples are currently broken because of this bug.

Related to #459

@joaomcteixeira joaomcteixeira self-assigned this Jun 13, 2022
@joaomcteixeira joaomcteixeira added bug Something isn't working m|topoaa topoaa module labels Jun 13, 2022
@joaomcteixeira joaomcteixeira added this to the v3.0.0 stable release milestone Jun 13, 2022
joaomcteixeira added a commit to joaomcteixeira/haddock3 that referenced this pull request Jun 13, 2022
@joaomcteixeira joaomcteixeira requested a review from mgiulini June 13, 2022 14:17
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looks good!

@joaomcteixeira
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Thanks for the review @mgiulini. I am merging because this is a critical bug. We can address any additional comments in the future weeks if needed.
Cheers,

@joaomcteixeira joaomcteixeira merged commit 042f3f4 into haddocking:main Jun 16, 2022
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@joaomcteixeira no problem, I think it's more than fine for the time being!

@joaomcteixeira joaomcteixeira deleted the md5_reading_bug branch June 16, 2022 08:21
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2 participants