Skip to content

Comments

Performance issue with creating a simulation using Expression Profiles for proteins that are not part of the model#2647

Merged
rwmcintosh merged 7 commits intodevelopfrom
2646-performance-issue-with-creating-a-simulation-using-expression-profiles-for-proteins-that-are-not-part-of-the-model
Sep 24, 2025
Merged

Performance issue with creating a simulation using Expression Profiles for proteins that are not part of the model#2647
rwmcintosh merged 7 commits intodevelopfrom
2646-performance-issue-with-creating-a-simulation-using-expression-profiles-for-proteins-that-are-not-part-of-the-model

Conversation

@rwmcintosh
Copy link
Member

@rwmcintosh rwmcintosh commented Sep 19, 2025

Fixes #2646

Description

Rather than look for all individual Expression Parameters in a simulation, first check if the molecule is present and give a single warning if not.

Type of change

Please mark relevant options with an x in the brackets.

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
  • This change requires documentation changes (link at least one user or developer documentation issue):
  • Algorithm update - updates algorithm documentation/questions/answers etc.
  • Other (please describe):

How Has This Been Tested?

Please describe the tests that you ran to verify your changes. Provide instructions so we can reproduce. Please also list any relevant details for your test configuration

  • Integration tests
  • Unit tests
  • Manual tests
  • No tests required

Reviewer checklist

Mark everything that needs to be checked before merging the PR.

  • Check if the code is well documented
  • Check if the behavior is what is expected
  • Check if the code is well tested
  • Check if the code is readable and well formatted
  • Additional checks (document below if any)
  • Check if documentation update issue(s) are created if the option This change requires a documentation update above is selected

Screenshots (if appropriate):

Questions (if appropriate):

…sion Profiles for proteins that are not part of the model
@rwmcintosh rwmcintosh changed the title Do not merge until after 12.1 release! Performance issue with creating a simulation using Expres… Do not merge until after 12.1 release! Performance issue with creating a simulation using Expression Profiles for proteins that are not part of the model Sep 23, 2025
…mulation-using-expression-profiles-for-proteins-that-are-not-part-of-the-model
@rwmcintosh rwmcintosh changed the title Do not merge until after 12.1 release! Performance issue with creating a simulation using Expression Profiles for proteins that are not part of the model Performance issue with creating a simulation using Expression Profiles for proteins that are not part of the model Sep 23, 2025
Copy link
Member

@msevestre msevestre left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

naming is off IMO

…mulation-using-expression-profiles-for-proteins-that-are-not-part-of-the-model
…mulation-using-expression-profiles-for-proteins-that-are-not-part-of-the-model
@rwmcintosh rwmcintosh merged commit 45ad0f6 into develop Sep 24, 2025
1 check passed
@rwmcintosh rwmcintosh deleted the 2646-performance-issue-with-creating-a-simulation-using-expression-profiles-for-proteins-that-are-not-part-of-the-model branch September 24, 2025 13:56
@github-project-automation github-project-automation bot moved this to Done in V12.2 Sep 24, 2025
@Yuri05 Yuri05 moved this from Done to Verified in V12.2 Oct 17, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

No open projects
Status: Verified

Development

Successfully merging this pull request may close these issues.

Performance issue with creating a simulation using Expression Profiles for proteins that are not part of the model

3 participants