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Remove db deletion from SearchMolecularFormulasLC and associated test
1 parent 7fa3386 commit 84a64aa

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corems/molecular_id/search/molecularFormulaSearch.py

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@@ -906,10 +906,6 @@ def __init__(self, lcms_obj, sql_db=None, first_hit=False, find_isotopologues=Tr
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else:
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self.sql_db = sql_db
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def delete_db(self):
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"""Delete the database."""
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self.sql_db.purge()
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def search_spectra_against_candidates(self, mass_spectrum_list, ms_peaks_list, candidate_formulas, ion_type, ion_charge):
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"""Search a list of mass spectra against a list of candidate formulas with a given ion type and charge.
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tests/test_wf_lipidomics.py

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@@ -131,7 +131,6 @@ def test_lipidomics_workflow():
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# Perform a molecular search on a few of the mass features
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mol_form_search = SearchMolecularFormulasLC(myLCMSobj)
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mol_form_search.run_mass_feature_search()
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mol_form_search.delete_db()
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# Check results of molecular search
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assert myLCMSobj.mass_features[0].ms1_peak[0].string == "C20 H30 O2"

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