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)
