def test_qeinput_card(self): input = QEInput() c = Card("atomic_species") c.setArg("temp") c.addLine("Ni 26.98 Ni.pbe-nd-rrkjus.UPF") input.addCard(c) c2 = input.card("atomic_positions") self.assertEqual(input.toString(), fixtures.assertNewCard) input.removeCard("atomic_species") self.assertEqual(input.toString(), fixtures.assertNewCard2)
def test_qeinput_remove(self): input = QEInput(config=fixtures.textMain) input.removeCard("atomic_species") # Remove non-existing card input.removeNamelist("control") # Remove non-existing namelist