def load(self): with open(self.std_file,'rU') as f: for i in range(9): f.readline() # remove heads for line in f: split_line = line.split(',') polarity = split_line[4] rts = split_line[9] # observed, not predicted if rts == '-': rt = 0.0 else: rt = float(rts) if polarity == '+' and rt > 0.0: name = split_line[2] formula = split_line[3] f = Formula(formula) new_mol = Mol(name,formula,f.compute_exact_mass(),rt*60.0) self.mols.append(new_mol) self.mols = sorted(self.mols,key = lambda x: x.mass)