joaomcteixeira / taurenmd

A command-line interface for analysis of Molecular Dynamics simulations.
https://taurenmd.readthedocs.io/en/latest/
GNU General Public License v2.0
9 stars 2 forks source link

Tilt torsion angles: yaw, roll, pitch update #55

Closed joaomcteixeira closed 2 years ago

joaomcteixeira commented 2 years ago

Drops Quaternion library usage. Uses direct algebra to calculate torsion angles between the planes of interest.

codecov-commenter commented 2 years ago

Codecov Report

Merging #55 (095ac6c) into master (5943fd4) will decrease coverage by 0.17%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #55      +/-   ##
==========================================
- Coverage   99.81%   99.64%   -0.18%     
==========================================
  Files          21       21              
  Lines        1090     1114      +24     
  Branches       87       84       -3     
==========================================
+ Hits         1088     1110      +22     
- Misses          2        3       +1     
- Partials        0        1       +1     
Impacted Files Coverage Δ
src/taurenmd/cli_rotations.py 100.00% <100.00%> (ø)
src/taurenmd/libs/libcalc.py 100.00% <100.00%> (ø)
src/taurenmd/libs/libio.py 100.00% <100.00%> (ø)
src/taurenmd/libs/libmda.py 95.34% <0.00%> (-4.66%) :arrow_down:

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 5943fd4...095ac6c. Read the comment docs.

codeclimate[bot] commented 2 years ago

Code Climate has analyzed commit 095ac6ce and detected 10 issues on this pull request.

Here's the issue category breakdown:

Category Count
Security 10

View more on Code Climate.