def test_2_match_ions_step(self): print("test_2_match_ions_step") matches = entry_point.match_deconvoluted_ions( self.db_file_name, self.ms2_decon_file, self.ms1_match_tolerance, self.ms2_match_tolerance, self.num_procs) self.assertTrue(os.path.exists(matches)) self.ms2_match_file = matches print(self.ms2_match_file)
def main(): args = app.parse_args() out = match_deconvoluted_ions( args.search_space, args.deconvoluted_spectra_file, args.ms1_match_tolerance, args.ms2_match_tolerance, 4) out = postprocess_matches(out) out = classify_data_by_model(out, args.model_file) out = calculate_false_discovery_rate(out, deconvoluted_spectra=args.deconvoluted_spectra_file, model_file_path=args.model_file)