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This pull request adds an actions workflow that installs the package and runs 1 test case successfully. The test case is simply a copy of the example in the repo, but then reconfigured to work with PyTest.

Note that a few minor changes to the source code were needed to make this work. In particular, the code that we have is designed to be run from the command line. However, for PyTest it needs to be invoked from within a Python script. For this to work I had to refactor the main routine. Now main calls do_it passing the command line arguments as a list to the do_it function. In the test cases do_it is called directly with a synthetic list of command line arguments for that particular test case. This way we can support both use cases with minimal code changes.

The changes are:
- adding a "do_it" function so we can call the program from another Python
  script with a particular set of command line options
- return the array of final rate constants so we compare them to the
  right answer
The old way to create filenames caused issues if the test case is stored
in a sub-directory of the directory where the test case is run. This
caused annoying issues with pytest. The new way to create filenames replaces
the "/" character with "_" creating valid filenames in the current working
directory instead.
We can add this back in when we have a place and a token to complete
the upload successfully. For now we can do without the upload and
instead make sure that the CI is successfull.
@hjjvandam hjjvandam requested a review from qinwubnl April 6, 2022 13:38
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2 participants