Closed danny305 closed 2 years ago
Merging #124 (c37f54b) into master (68007f0) will increase coverage by
0.04%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## master #124 +/- ##
==========================================
+ Coverage 73.05% 73.09% +0.04%
==========================================
Files 24 25 +1
Lines 3963 3970 +7
==========================================
+ Hits 2895 2902 +7
Misses 1068 1068
Impacted Files | Coverage Δ | |
---|---|---|
propka/output.py | 57.31% <100.00%> (+0.52%) |
:arrow_up: |
propka/__init__.py | 100.00% <0.00%> (ø) |
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what is needed for this to be merged???
I think @orbeckst still needs to review this before we can merge this PR.
I was trying to get more granular free energy and protein charge output in the .pka file. However, passing in different parameters to the -g and -w CLI parameters did not modify the out .pka file.
I made changes in the source code to address this and solved some floating point rounding issues along the way (used the decimal library).
All tests passed.