def test_qeinput_read(self): input = QEInput() input.readString(fixtures.textMain) # Load input from string self.assertEqual(input.config, fixtures.textMain) # config is set nl = input.namelist("control") c = input.card("atomic_positions") self.assertEqual(nl.get("calculation"), "'scf'") self.assertEqual(c.line(0), "Ni 0.00 0.00 0.00") input.readFile("matdyn.in") self.assertEqual(input.filename, "matdyn.in") # filename is set input.readFile("ni.scf.in") # Load input from file nl = input.namelist("control") c = input.card("atomic_positions") self.assertEqual(nl.get("calculation"), "'scf'") self.assertEqual(c.line(0), "Ni 0.00 0.00 0.00")