haddock3
haddock3 copied to clipboard
Refactor `XYZWriter` to not produce intermediate files
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. Runtox
command inside the repository folder - [ ]
-test.cfg
examples execute without errors. Insideexamples/
runpython 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: