Dopant prediction

[AntObi]

I'm getting around to having a look over the SMACT code. There are some minor things that need to be done for the dopant prediction submodule. None of these are time critical so any one of us can get around to doing them whenever.

• Example notebook: I would suggest that there could be some markdown text in the examples/Dopant_Prediction/doper_example.ipynb notebook just to explain what is being done. It is quite straightforward to understand but the additional text would help with the clarity of the notebook
• Docs: Docs need to be made for the dopant_prediction submodule in the docs/ directory. Should be simple to do.
• Tests: Tests should be written for this submodule in the smact/tests/ folder. It should be in the file smact/tests/test_dopant.py.

[AntObi]

Updates on this issue:

• The first bullet point has been addressed in commit 7f3cae6 and can be considered resolved.
• The second point has been addressed in commit 3f19932.
  • This point is not complete yet. Currently, the class Doper does not display correctly as seen in the readthedocs.
  • Branch dopant-prediction-docs has been created to try and resolve this issue.
• The third point is still outstanding.

[AntObi]

Another update:

I've resolved the issue with the docs for smact.dopant_prediction in PR #71. Doper now appears in the readthedocs.

Final step to close this issue will be creating the tests for this submodule.