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snurr-group / mofid

A system for rapid identification and analysis of metal-organic frameworks
https://snurr-group.github.io/mofid/
GNU General Public License v2.0
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Add new test case and reorganize test files #22

Closed Andrew-S-Rosen closed 5 years ago

Andrew-S-Rosen commented 5 years ago

This consists of two changes:

  1. There was no Travis test for the mofid.run_mofid functionality, which caused a broken import statement to go unnoticed. This has now been addressed with a new test case check_run_mofid.py that runs with make test.

  2. I felt that the test Python codes should not be in the same directory as the Python codes actually used in running mofid. Therefore, I created a mofid/tests directory and put the two Python test codes there, making sure to update the path in make test.

bbucior commented 5 years ago

This works beautifully. Thanks for continuing to improve how things are organized! Please feel free to merge: my current WIP is isolated to the website branch and I'll send a PR when it's ready.