Correction two-letters atoms problem (issue #13)

[maillardj]

1. Modification in database.py to prevent failure when molar mass is unknown. I add a test.

2. Modification in modeldata.py to be able to recognize two-letters atoms. No test yet.

[codecov[bot]]

Codecov Report

Merging #14 into master will increase coverage by 1.52%. The diff coverage is 96.42%.

@@            Coverage Diff             @@
##           master      #14      +/-   ##
==========================================
+ Coverage   22.40%   23.93%   +1.52%     
==========================================
  Files          18       19       +1     
  Lines        1754     1780      +26     
==========================================
+ Hits          393      426      +33     
+ Misses       1361     1354       -7     

Impacted Files	Coverage Δ
test/test_two_letters_atom_failure.py	92.85% <92.85%> (ø)
qtplaskin/database.py	87.09% <100.00%> (+7.93%)	:arrow_up:
qtplaskin/modeldata.py	39.71% <100.00%> (+1.18%)	:arrow_up:
test/test_02.py	100.00% <0.00%> (+18.75%)	:arrow_up:

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[erwanp]

Thanks for submitting.

• I left some comments on syntax
• also, can you mention that the PR will fix Issue #13 in the description?

Nice for the tests. However they did not execute in the Travis CI build:

• Only functions that start with test_... will be executed.
• Can you rename your test function ?
• Also, you might want to move it out of qtplaskin/database.py and into a test/test_database.py file, for instance, as we already have a test folder.

[erwanp]

Hello. I left a last comment. Also, did you manage to reduce the qt_rates.txt & qt_densities.txt size to less than a few hundred lines?

[erwanp]

@maillardj any update on the test files, so we can merge?

[erwanp]

Fixed in #16