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Ilrmsd onechain clarified #922
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lgtm
Co-authored-by: Victor Reys <132575181+VGPReys@users.noreply.github.com>
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Added a few #TODO
markers so w ecan handle it before the release and you don't have to worry about it now 🙂
The mocked previous_io needs to use self.path
to avoid contamination - see 9226d14, but good as is - we can make it proper later.
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
Co-authored-by: Rodrigo Vargas Honorato <rvhonorato@gmail.com>
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🚀
You are about to submit a new Pull Request. Before continuing make sure you read the contributing guidelines and that you comply with the following criteria:
tox
tests pass. Runtox
command inside the repository folder-test.cfg
examples execute without errors. Insideexamples/
runpython run_tests.py -b
Closes #920 by retrieving the chains in ilrmsdmatrix and stopping the execution if no contacts have been retrieved.
this changes also the caprieval module, in which now the function
check_chains
is externalised in the libalign library. Additionally, this closes #973 by settingligand_chains
to an empty list by default.