Add a property to calculate asphericity - Githubissues

jmborr / idpflex

Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments

http://idpflex.readthedocs.io/en/latest/

MIT License

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Add a property to calculate asphericity #65

Closed jmborr closed 6 years ago

jmborr commented 6 years ago

[x] Source
[x] Unit tests
[x] Update HISTORY file
[x] Documentation
[x] example in notebook

To test: N/A

Fixes #61

Code Review

[x] Is the code of an acceptable quality?
[x] Does the code conform to the [coding standards]?
[x] Are the unit tests small and test the class in isolation?
[x] If there are changes in HISTORY.rst then do they describe the changes appropriately?

Functional Tests

[x] Do changes function as described? Add comments below that describe the tests performed?
[x] Do the changes handle unexpected situations, e.g. bad input?

Documentation

[x] Has the relevant (user and developer) documentation been added/updated?

Does everything look good? Mark the review as Approve. A member of @qef/gatekeepers will take care of it.