Sets up Travis/Codecov + basic regression tests

[IAlibay]

Towards #20

Changes made:

• Adds the required Travis & Codecov files
• Adds a few basic regression tests
  • Note: the assumption here is that the MDA PDB writer is accurate & that propka 3.1 will give intended results when given a file (i.e. the tests only really test that the PDBs are being correctly passed and the correct data structure is generated).

[codecov]

Codecov Report

❗ No coverage uploaded for pull request base (master@2abd91f). Click here to learn what that means.
The diff coverage is n/a.

@@            Coverage Diff            @@
##             master      #21   +/-   ##
=========================================
  Coverage          ?   77.08%           
=========================================
  Files             ?        2           
  Lines             ?       48           
  Branches          ?        0           
=========================================
  Hits              ?       37           
  Misses            ?       11           
  Partials          ?        0           

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[IAlibay]

Ideally I'd also want to test that bad frames are being skipped as expected (#10 (comment)). However, I'm not sure if the files are GPL compliant.

[orbeckst]

Thank you for all this work, @IAlibay !

Looks all fine to me. What I didn’t understand was the question regarding licensing of data files. Can you explain what your concern is?

[IAlibay]

Thank you for all this work, @IAlibay !

Looks all fine to me. What I didn’t understand was the question regarding licensing of data files. Can you explain what your concern is?

Sorry, what I meant was; is it ok to include the files that @rsexton2 added in #10 and #13 under the GPLv3 licence of propkatraj? (my understanding is that @rsexton2 is a member of your lab @orbeckst ?)

(I think we usually check this in MDA before adding user contributed files, so I didn't want to make any assumptions here).

[orbeckst]

All three sets of datafiles are fine to be included under GPLv3.

Thanks for being very thorough.