Closed BvB93 closed 2 years ago
Merging #281 (a952a71) into master (aad024f) will decrease coverage by
0.16%
. The diff coverage is54.54%
.
@@ Coverage Diff @@
## master #281 +/- ##
==========================================
- Coverage 74.98% 74.81% -0.17%
==========================================
Files 66 65 -1
Lines 7107 7075 -32
Branches 1364 1329 -35
==========================================
- Hits 5329 5293 -36
- Misses 1440 1443 +3
- Partials 338 339 +1
Impacted Files | Coverage Δ | |
---|---|---|
FOX/recipes/psf.py | 81.96% <54.54%> (-1.51%) |
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FOX/io/read_prm.py | 63.30% <0.00%> (-0.84%) |
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FOX/io/hdf5_utils.py | 80.52% <0.00%> (-0.23%) |
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FOX/io/read_psf.py | 79.92% <0.00%> (-0.20%) |
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FOX/classes/multi_mol.py | 73.27% <0.00%> (-0.20%) |
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FOX/classes/multi_mol_magic.py | 89.13% <0.00%> (-0.13%) |
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FOX/io/read_xyz.py | 71.15% <0.00%> (ø) |
|
FOX/armc/armc_pt.py | 85.12% <0.00%> (ø) |
|
FOX/ff/lj_dataframe.py | 30.25% <0.00%> (ø) |
|
FOX/__init__.py | ||
... and 1 more |
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Issue a
MoleculeWarning
as this can severely limit the functions' ability to match substructure patterns.