def test_generate(): input = 'LEQN' expected = [0, 113, 114, 128, 129, 227, 242, 242, 257, 355, 356, 370, 371, 484] actual = generate(input) assert (expected == actual)
import sys from theoretical_spectrum.spectrum import generate filename = sys.argv[1] with open(filename, 'r') as f: peptide = f.readline().strip() print(' '.join([str(x) for x in generate(peptide)]))