How to use the ms2pip.cython_modules.ms2pip_pyx.get_targets_all function in ms2pip

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github compomics / ms2pip_c / ms2pip / ms2pipC.py View on Github external
else:
                                dtargets[i] = [t[::-1]]
                elif tableau:
                    numby = 0
                    numall = 0
                    explainedby = 0
                    explainedall = 0
                    ts = []
                    ps = []
                    predictions = ms2pip_pyx.get_predictions(
                        peptide, modpeptide, charge, model_id, peaks_version, colen
                    )
                    for m, p in zip(msms, peaks):
                        ft.write("%s;%f;%f;;;0\n" % (title, m, 2 ** p))
                    # get targets
                    mzs, targets = ms2pip_pyx.get_targets_all(
                        modpeptide, msms, peaks, float(fragerror), "all"
                    )
                    # get mean by intensity values to normalize!; WRONG !!!
                    maxt = 0.0
                    maxp = 0.0
                    it = 0
                    for cion in [1, 2]:
                        for ionnumber in range(len(modpeptide) - 3):
                            for lion in ["a", "b-h2o", "b-nh3", "b", "c"]:
                                if (lion == "b") & (cion == 1):
                                    if maxt < (2 ** targets[it]) - 0.001:
                                        maxt = (2 ** targets[it]) - 0.001
                                    if maxp < (2 ** predictions[0][ionnumber]) - 0.001:
                                        maxp = (2 ** predictions[0][ionnumber]) - 0.001
                                it += 1
                    for cion in [1, 2]: