AutoFlowResearch / SmartPeak

Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing
MIT License
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Unit test fail with update from OpenMS #502

Closed bertrandboudaud closed 2 years ago

bertrandboudaud commented 2 years ago

Describe the bug Builds are failing since the update of openMS

seems to come from: https://github.com/OpenMS/OpenMS/commit/aa03c7f187069d9e7aaeca78a3ac453ec4c7c6d6

logs log_test_fail.txt

[ RUN      ] RawDataProcessor.searchAccurateMass
17: <WARNING in SignalToNoiseEstimatorMedian: 100% of all windows were sparse. You should consider increasing 'win_len' or decreasing 'min_required_elements'> occurred 9 times
17: To ensure tracability of results please prefer mzML files as primary MS run.
17: Filename: ''
17: Read 11531 entries from mapping file!
17: Read 33 entries from adduct file '/root/OpenMS/share/OpenMS/CHEMISTRY/PositiveAdducts.tsv'.
17: Read 15 entries from adduct file '/root/OpenMS/share/OpenMS/CHEMISTRY/NegativeAdducts.tsv'.
17: 
17: Found 18 matched masses (with at least one hit each)
17: from 51 features
17:   --> 35% explained
17: Hits by adduct: #peaks explained (# matching db entries)'
17:   'M+3Na;3+' : 17 (17)
17:   'M+C2H6OS;1+' : 1 (1)
17:   'M+H+K;2+' : 1 (2)
17:   'M;1+' : 1 (1)
17: 
17: /root/SmartPeak/src/tests/class_tests/smartpeak/source/RawDataProcessor_test.cpp:1540: Failure
17: Expected equality of these values:
17:   rawDataHandler.getMzTab().getSmallMoleculeSectionRows().size()
17:     Which is: 54
17:   21
17: unknown file: Failure
17: C++ exception with description "the element 'Trying to extract MzTab Double value from non-double valued cell. Did you check the cell state before querying the value?' could not be found" thrown in the test body.