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KramerChristian / NonadditivityAnalysis

Code to analyze SAR datasets for Nonadditivity
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Package code #5

Closed cthoyt closed 3 years ago

cthoyt commented 3 years ago

Closes #1

This PR does the following things:

  1. Reorganizes code with standard src/ package layout. I chose nonadditivity as the package name. Somewhere in the code, it said nonadd. Please let me know which one you'd like!
  2. Add setup.cfg and setup.py with minimum information so it can be pip installed
  3. Update the README on how to install with pip
  4. Splits script functionality into its own cli.py submodule so it can be run from anywhere after being pip installed
  5. Change the way mmpdb is referenced - it can be pip installed, which means you don't have to worry about specified the path since it is now listed as a requirement and should be accessible through the same python installation as a script. Ideally, the code would just import the python interface of mmpdb and use that, but I didn't want to change too much functionality in this PR which is supposed to be about only packaging
  6. Fix a typo in the -i flag that should have been -in in the example
  7. Ran the example to make sure everything is working
KramerChristian commented 3 years ago

Thank you for preparing all this, Charles!

Re question 1: I prefer nonadditivity, as you named it.

I will merge the request and close it.