codecov[bot]
commented
1 year ago Codecov Report
Merging #672 (5e27ec9) into main (308694c) will increase coverage by
0.05%. The diff coverage is98.07%.
@@ Coverage Diff @@
## main #672 +/- ##
==========================================
+ Coverage 73.17% 73.23% +0.05%
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Files 99 99
Lines 26423 26456 +33
Branches 5534 5538 +4
==========================================
+ Hits 19336 19376 +40
+ Misses 5719 5715 -4
+ Partials 1368 1365 -3 | Flag | Coverage Δ | |
|---|---|---|
| unittests | 73.23% <98.07%> (+0.05%) |
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| Impacted Files | Coverage Δ | |
|---|---|---|
| arc/mapping/engine.py | 88.87% <96.07%> (-0.34%) |
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| arc/mapping/driver.py | 73.83% <100.00%> (-1.64%) |
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| arc/mapping/driver_test.py | 98.10% <100.00%> (ø) |
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| arc/mapping/engine_test.py | 99.56% <100.00%> (+0.02%) |
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| arc/reaction_test.py | 90.94% <100.00%> (+1.38%) |
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... and 1 file with indirect coverage changes
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This PR solves a problem with the atom mapping algorithm in ARC, in which multiple scissions are required on the same species. A new method is introduced and tested. In addition, the make_bond_change function can now add a double bond between atoms that one of them does not have radicals. Additional fix ups are introduced.