def _read(self, filename=None, config=None, parse=True):
"Reads and parses configuration input specified by kwds parameters"
self.parser = QEParser(filename, config, self._type) #filename, config, type)
(self.namelistRef, self.cardRef) = self.parser.setReferences()
if parse and (filename or config):
QEInput.parse(self) # Avoid calling method parse() from subclass
self.qe = [self.header, self.namelists, self.cards, self.attach]
def __init__(self, filename=None, config=None, type='pw'):
self.filename = filename
self.config = config
self.parser = QEParser(filename, config, type)
self.type = type
self.namelists = OrderedDict()
self.cards = OrderedDict()
self.attach = None # Specific for 'matdyn'
self.namelistRef = None
self.cardRef = None
self.qe = [self.namelists, self.cards, self.attach]
def test_qeparser_comments(self):
# Filters out comments
parser = QEParser(filename="ph.mgb2.in", type="ph")
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertMgB2)
def test_qeparser_header(self):
# Header for PH configuration files is mandatory
parser = QEParser(configText=fixtures.textHeader, type="ph")
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertHeader)
def test_qeparser_type(self):
# Type of configuration file recognizes specific namelists and card only!
parser = QEParser(configText=fixtures.textHeader, type="pw")
parser.parse()
self.assertEqual(parser.toString(),
'') # namelist 'INPUTPH' is not recognized
def test_qeparser_comma(self):
# Parameters on the same line separated by comma - does not parse as it
# should (intentionally)
parser = QEParser(configText=fixtures.textComma, type="matdyn")
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertComma)
def test_qeparser_card(self):
# Card
parser = QEParser(configText=fixtures.textCards)
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertCards)
def test_qeparser_file(self):
# Configuration file
parser = QEParser(filename="ni.scf.in")
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertFile)
def test_qeparser_dynmat(self):
# Slash and name of namelist on the same line with parameters
parser = QEParser(configText=fixtures.textDynmat, type="dynmat")
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertDynmat)
def test_qeparser_matdyn(self):
# Attachment after card
parser = QEParser(configText=fixtures.textMatdyn, type="matdyn")
parser.parse()
self.assertEqual(parser.toString(), fixtures.assertMatdyn)
