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fix simulation of only negatives chemical shift #2475
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jobo322
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2474-crash-when-try-to-simulate-only-negatives-chemical-shift
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fix simulation of only negatives chemical shift #2475
jobo322
wants to merge
7
commits into
main
from
2474-crash-when-try-to-simulate-only-negatives-chemical-shift
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Jun 26, 2023
Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## main #2475 +/- ##
==========================================
- Coverage 52.08% 52.05% -0.03%
==========================================
Files 52 52
Lines 2546 2553 +7
Branches 84 84
==========================================
+ Hits 1326 1329 +3
- Misses 1217 1222 +5
+ Partials 3 2 -1
☔ View full report in Codecov by Sentry. |
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Can you update your PR title to something meaningful? I doubt this is adding a crash. |
jobo322
changed the title
crash when try to simulate only negatives chemical shift
fix simulation of only negatives chemical shift
Jun 27, 2023
remove logger from moleculeActions
Closed
Included in #2488 |
targos
deleted the
2474-crash-when-try-to-simulate-only-negatives-chemical-shift
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June 30, 2023 12:07
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prevent crash when a prediction (carbon or proton) is missing.