Closed CatChenal closed 10 months ago
Tests:
PREREQUISITE: A conda environment for mcce exists and is activated.
Running test_ms_analysis.py in a mcce output folder:
test_ms_analysis.py
$ test_ms_analysis.py head3.lst >>> len(msa.conformers) = 1673 >>> len(new_conformers) = 1673
Running test_ms_analysis.py outside a mcce output folder:
$ cd ~/ $ test_ms_analysis.py projects/mcce_data/head3.lst >>> len(msa.conformers) = 0 >>> len(new_conformers) = 1673
Tests:
PREREQUISITE: A conda environment for mcce exists and is activated.
Running
test_ms_analysis.py
in a mcce output folder:Running
test_ms_analysis.py
outside a mcce output folder: