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De-lint PROPKA #33

Merged
merged 15 commits into from
May 23, 2020
Merged

De-lint PROPKA #33

merged 15 commits into from
May 23, 2020

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sobolevnrm
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This is the start of a long pull request (or perhaps multiple requests) to bring PROPKA 3.1 close to PEP8 standards. Use of standards should make it easier to maintain community development.

@orbeckst and @speleo3 - can you take a look?

Only implemented fixes that do not change functonality.
Avoided changing numbers of arguments, numbers of attribute,
variable/function names, etc.
Other changes are a result of Atom use in other files.
Do we drop 3.0 support?  I vote "yes" but will leave that for the next
commit.
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I didn't manage to look through everything, some comments inline.

I'd definitely make sure that tests are working before merging this PR.

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@sobolevnrm sobolevnrm marked this pull request as draft May 23, 2020 15:52
@sobolevnrm sobolevnrm marked this pull request as ready for review May 23, 2020 16:36
@sobolevnrm sobolevnrm merged commit 3cfcc8f into jensengroup:master May 23, 2020
IAlibay added a commit to Becksteinlab/propkatraj that referenced this pull request Dec 24, 2023
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2 participants