def readFile(self, filename):
"""
Reads and parses configuration input from file
filename: (str) -- File name
"""
QEInput.readFile(self, filename)
if self._setting != None:
self.filename = self._setting.get(self.type() + 'Input')
def readFile(self, filename):
"""
Reads and parses configuration input from file
filename: (str) -- File name
"""
QEInput.readFile(self, filename)
if self._setting != None:
self.filename = self._setting.get(self.type() + 'Input')
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")
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")
