ChemEnvSiteFingerprint.from_preset() removal of not-implemented CEs

[kaueltzen]

Summary

Resolves #945.

• Solution 2 was implemented (removal of 5 CEs that are not implemented in the LocalGeometryFinder)
• Two tests that would have failed previously were added:
  • Creation of ChemEnvSiteFingerprint for Ni3Al for a site with CN=12 that would have failed due to non-implemented S:12 CE
  • A test that asserts that all CE types of ChemEnvSiteFingerprint.from_preset() are implemented geometries in the LocalGeometryFinder. This should ensure that future changes in the preset ce_types or in pymatgen (although probably no "deactivation" of existing CEs) will be detected by the failing test, if problematic.

Tagging @ml-evs for review (thank you!)

Tagging @davidwaroquiers in case you have something to add on issue #945 or this PR (e.g., is the deactivate attribute of CEs in ChemEnv going to be changed in future pymatgen versions?).

[ml-evs]

Thanks for this @kaueltzen, as a start, could you fix the linting errors please? You can do this locally with pre-commit (I note that this repo does not have useful instructions for it...):

# from your matminer virtualenv
pip install pre-commit
pre-commit install
pre-commit run --all-files

[ml-evs]

As I mentioned, I don't know enough about chemenv or this part of the code to give a proper review, but I can at least confirm that the test you added fails without your changes, and if this fixes a problem for you and @JaGeo then lets merge!

Thanks @kaueltzen!