Switch hbonds to results.hbonds for HydrogenBondAnalysis#3283
Merged
orbeckst merged 1 commit intoMDAnalysis:developfrom May 7, 2021
Merged
Switch hbonds to results.hbonds for HydrogenBondAnalysis#3283orbeckst merged 1 commit intoMDAnalysis:developfrom
orbeckst merged 1 commit intoMDAnalysis:developfrom
Conversation
|
Hello @IAlibay! Thanks for opening this PR. We checked the lines you've touched for PEP 8 issues, and found:
|
Codecov Report
@@ Coverage Diff @@
## develop #3283 +/- ##
========================================
Coverage 93.03% 93.03%
========================================
Files 172 172
Lines 22724 22731 +7
Branches 3193 3193
========================================
+ Hits 21141 21148 +7
Misses 1533 1533
Partials 50 50
Continue to review full report at Codecov.
|
bieniekmateusz
approved these changes
May 7, 2021
orbeckst
approved these changes
May 7, 2021
Member
orbeckst
left a comment
orbeckst
left a comment
There was a problem hiding this comment.
lgtm
Thank you @p-j-smith and @bieniekmateusz for reviewing at short notice. Much appreciated!!
| self.d_h_a_angle = d_h_a_angle_cutoff | ||
| self.update_selections = update_selections | ||
| self.hbonds = None | ||
| self.results = Results() |
Member
There was a problem hiding this comment.
Ok, that's necessary when not calling super().__init__()
Member
|
one down, thank you @IAlibay |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
5 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Fixes #3271
Towards #3261
Changes made in this Pull Request:
hbondstoresults.hbondsfor HydrogenBondAnalysisPR Checklist