Regression Tests

Regression tests are organized in the tests folder in the source folder, and built within the popular and standard pytest framework.

Run Tests

Download the trajectories data from:

https://software.rcc.uchicago.edu/mscg/downloads/data.tar.gz

Unpack the tar-ball and move it into the source folder:

tar xzvf data.tar.gz
mv data ${path_to_openmscg_package}/tests/

Ensure you have pytest installed in your Python environment. Run the following command in the source folder:

pytest

The command above is used to run through all tests in this package. To run the tests in a specific module, use the command:

pytest tests/[test_file].py

Or, just run a single test function in a file:

pytest tests/[test_file].py::[test_function]

Build New Test

1. Create a new script in the tests folder and name it as test_*.py.

2. Add following heading lines to initialize the testing environment:

   import pytest
   from mscg import *
   

Or, if testing new CLI module:

from mscg.cli import [cli_module_name]

3. Create testing module as a function prefixed by test__, for example,:

   def test_example(datafile):
   
       asset "This is a test." == ""
   

datafile is a pre-defined funtion decorator to get the full path for a data file, for example,:

datafile('lj_liquid.top')