Closed BvB93 closed 2 years ago
Merging #239 (fcf1ab4) into master (f832b31) will decrease coverage by
0.07%
. The diff coverage is41.66%
.
@@ Coverage Diff @@
## master #239 +/- ##
==========================================
- Coverage 68.02% 67.95% -0.08%
==========================================
Files 50 50
Lines 4091 4103 +12
Branches 765 769 +4
==========================================
+ Hits 2783 2788 +5
- Misses 1149 1154 +5
- Partials 159 161 +2
Impacted Files | Coverage Δ | |
---|---|---|
CAT/data_handling/validate_input.py | 56.92% <0.00%> (-0.89%) |
:arrow_down: |
CAT/workflows/key_map.py | 100.00% <ø> (ø) |
|
CAT/workflows/workflow_dicts.py | 77.14% <ø> (ø) |
|
CAT/base.py | 66.04% <44.44%> (-1.28%) |
:arrow_down: |
CAT/data_handling/validation_schemas.py | 90.65% <100.00%> (+0.08%) |
:arrow_up: |
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 f832b31...fcf1ab4. Read the comment docs.
Add a new workflow for computing the smallest enclosing cone angle within a ligand.
The smallest enclosing cone angle is herein defined as two times the largest angle (
2 * \phi_{max}
) w.r.t. a central ligand vector, the ligand vector in turn being defined as the vector that minimizes\phi_{max}
.Examples