def test_load_mass_spectra(): csv_path = "sample_data/mass_spectrum.csv" ms = mass_and_me.load_mass_spectra([csv_path])[0] assert ms.Mass[0] == approx(396.009089) assert ms.Intensity[0] == approx(0) assert ms.Mass[12] == approx(400.015755) assert ms.Intensity[12] == approx(49.810793)
def test_load_mass_spectra(): csv_path = 'sample_data/mass_spectrum.csv' ms = mass_and_me.load_mass_spectra([csv_path])[0] assert ms.Mass[0] == approx(396.009089) assert ms.Intensity[0] == approx(0) assert ms.Mass[12] == approx(400.015755) assert ms.Intensity[12] == approx(49.810793)
def test_find_peak_indices(): csv_path = "sample_data/mass_spectrum.csv" ms = mass_and_me.load_mass_spectra([csv_path])[0] all_peaks = mass_and_me.find_peak_indices(ms) big_peaks = mass_and_me.find_peak_indices(ms, 100) assert all_peaks[0] == 12 assert all_peaks[1] == 17 assert big_peaks[0] == 17 assert all_peaks[2] == 32 assert all_peaks[3] == 46 assert all_peaks[4] == 60 assert all_peaks[5] == 73 assert all_peaks[6] == 91 assert all_peaks[7] == 102 assert big_peaks[1] == 102
def test_find_peak_indices(): csv_path = 'sample_data/mass_spectrum.csv' ms = mass_and_me.load_mass_spectra([csv_path])[0] all_peaks = mass_and_me.find_peak_indices(ms) big_peaks = mass_and_me.find_peak_indices(ms, 100) assert all_peaks[0] == 12 assert all_peaks[1] == 17 assert big_peaks[0] == 17 assert all_peaks[2] == 32 assert all_peaks[3] == 46 assert all_peaks[4] == 60 assert all_peaks[5] == 73 assert all_peaks[6] == 91 assert all_peaks[7] == 102 assert big_peaks[1] == 102