shirtsgroup / physical_validation

Physical validation of molecular simulations

https://physical-validation.readthedocs.io

MIT License

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Closed ptmerz closed 3 years ago

ptmerz commented 3 years ago

This fixes two small inconveniences introduced recently:

The equality function for the SystemData included checks for the bonds and constrained bonds functionality which is currently unused. Since these are unused, their presence should not be determining the equivalence of two objects.
The test system time steps was only stored when it was being used as a simulation label. It can now also be stored otherwise.

codecov[bot] commented 3 years ago

Codecov Report

Merging #131 (b9feadc) into master (fabafca) will not change coverage. The diff coverage is n/a.