Add tests for additional h5py.File exceptions

[mhucka]

This adds tests for a couple of exceptions that were not yet covered.

(Tests generated with the help of Jules.)

[gemini-code-assist]

Code Review

This pull request adds unit tests to verify the exception handling of the get_from_file method in the MolecularData class. The new test cases use mocking to simulate KeyError and IOError scenarios, ensuring the method returns None as expected. I have no feedback to provide.

[mpharrigan]

What's Jules?

[mpharrigan]

it's strange that the desired behavior under test is to swallow the bad inputs and errors and just return None, but if this is for test coverage then ok

[mhucka]

What's Jules?

It is jules.google.com

[mhucka]

it's strange that the desired behavior under test is to swallow the bad inputs and errors and just return None, but if this is for test coverage then ok

I'm not sure if I understand, but it might worth noting that get_from_file() returns None for these exceptions. The test here is basically "if h5py.File raises these two exceptions, does execution inside get_from_file() go down the expected paths?".

        try:
            with h5py.File("{}.hdf5".format(self.filename), "r") as f:
                data = f[property_name][...]
        except KeyError:
            data = None
        except IOError:
            data = None
        return data

I'm not sure how else to cover the two paths except to fake an exception and check that data = None. Maybe I'm missing something?