histogram intersection fix

coarse-graining / cgnet

learning coarse-grained force fields

BSD 3-Clause "New" or "Revised" License

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Closed brookehus closed 5 years ago

brookehus commented 5 years ago

Development:

I hate everything.

brookehus commented 5 years ago

Basically the fact that we were using a uniform distribution was causing some implicit assumptions in how we wrote histogram_intersection. Here, I:

Changed the bins=None option in histogram_intersection to automatically populate bins as opposed to intervals.
Added the option to norm the bins so they span a range of 1.
Wrote 3 tests.

nec4 commented 5 years ago

Good catch - Will take a look.

nec4 commented 5 years ago

Aside from a few cosmetic (possibly subjective stuff), I think this looks great! Let me know what you think - otherwise I'll give it the LGTM.

brookehus commented 5 years ago

@nec4 check this commit.

nec4 commented 5 years ago

Nice - LGTM!