openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal

https://openff-qcsubmit.readthedocs.io/en/latest/index.html

MIT License

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Ensure multiple conformers generated for `test_rmsd_filter` #107

Closed SimonBoothroyd closed 3 years ago

SimonBoothroyd commented 3 years ago

Description

This PR fixes the current test failures by ensuring that multiple conformers are generated as part of the setup for the test_rmsd_filter unit test. This test likely started failing due to changes made by the RDKit 2021.03.1 release (#3813 in particular?) which coincides with when the CRON CI started to fail.

Status

[X] Ready to go

codecov[bot] commented 3 years ago

Codecov Report

Merging #107 (48b2edf) into master (45e716e) will increase coverage by 0.00%. The diff coverage is 100.00%.