Add a method for comparing components in ChemicalSystem objects #418
Conversation
This file contains 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
Implement a method to compare the components of a ChemicalSystem with those of another.
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #418 +/- ##
=======================================
Coverage 98.65% 98.66%
=======================================
Files 36 36
Lines 2087 2098 +11
=======================================
+ Hits 2059 2070 +11
Misses 28 28 ☔ View full report in Codecov by Sentry. 🚨 Try these New Features:
|
* Add test demonstrating the comparison between the components of two ChemicalSystem objects * Add test for comparing two incompatible types: ChemicalSystem and SmallMoleculeComponent * Fix typo in TypeError message
|
@IAlibay Is this what you had in mind? |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.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.
Add
component_diffmethod to compare ChemicalSystem components.Implement a method to compare the components of a ChemicalSystem with those of another.
closes #347