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_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
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
