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:
[ ] You have sticked to Python. Please talk to us before adding other programming languages to HADDOCK3
[ ] Your PR is about CNS
[ ] Your code is well documented: proper docstrings and explanatory comments for those tricky parts
[ ] You structured the code into small functions as much as possible. You can use classes if there is a (state) purpose
[ ] Your code follows our coding style
[ ] You wrote tests for the new code
[ ] tox tests pass. Run tox command inside the repository folder
[ ] -test.cfg examples execute without errors. Inside examples/ run python run_tests.py -b
[ ] PR does not add any dependencies, unless permission granted by the HADDOCK team
[ ] PR does not break licensing
[ ] Your PR is about writing documentation for already existing code :fire:
[ ] Your PR is about writing tests for already existing code :godmode:
Closes #866 by:
changing the plot title
changing the sign of the deltas
removing the ori_score field, that was containing the difference between the emscoring score of the mutant and the existing score attribute of the wildtype (potentially coming from any module). This does not make much sense, as the only thing that matters is the difference between the two emscoring values
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 #866 by:
ori_score
field, that was containing the difference between the emscoring score of the mutant and the existing score attribute of the wildtype (potentially coming from any module). This does not make much sense, as the only thing that matters is the difference between the two emscoring values