A week of cleanup

This week was cut short by storms in the Midwest again. I lost power and internet from Monday until Wednesday, so I was stuck trying to find local cafes that still had power and also had internet. I did manage to have a very productive conversation with Brian about things that should still be cleaned up. I will post a more detailed description of the changes once I’ve finished the todo list we came up with, but for right now, some general themes that I’ve been working on include:

  • Docstring cleanup throughout the PR: as this is my first time working with Sympy, I’m still figuring out how to write good docs that conform to the standards throughout the code base. As such, alot of work will go into writing better descriptions and examples, as well as cleaning up the formatting.
  • More test coverage: There are many tests that have been added, but its time to start thinking more generally and come up with more complicated tests. Examples of tests that were added include support for Bras in the operator <-> state mapping as well as testing multi-dimensional Lapalacians in DifferentialOperator.
  • API streamlining: the API for DifferentialOperator described in my last post was a bit cludgy, so we’ve now reduced it to be just the general expression form. This might be more verbose, but it also simplifies the internal code quite a bit. In Wavefunction, I’ve cleaned up the normalization a bit, as well as adding a normalize() function which will return a normalized Wavefunction. Things like _eval_dagger and _eval_conjugate are defined now as well.

These changes were mainly to operatorset.py, Wavefunction, and DifferentialOperator. You can see some commits here, here, and here. There’s still a bit left to do, mostly with docstrings and test coverage, and I will talk more about this later. This week was also the GSoC midterm evaluation, so I will try to post a summary of the first half and the changes that I have made as well.

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