def test_exception_class(self):
document = PwDocument()
with self.assertRaises(XmlDocumentError):
document.get_fortran_input()
schema = os.path.join(self.schemas_dir, 'qes.xsd')
document = TdSpectrumDocument(schema=schema)
document.read(
os.path.join(self.test_dir, 'resources/pw/Al001_relax_bfgs.xml'))
with self.assertRaises(XmlDocumentError):
document.get_fortran_input()
def test_incomplete_schema(self):
schema_path = os.path.join(self.test_dir,
'resources/dummy/incomplete.xsd')
document = PwDocument(schema=schema_path)
xml_filename = os.path.join(self.test_dir,
'resources/dummy/incomplete.xml')
document.read(xml_filename)
with self.assertRaises(XmlDocumentError) as ctx:
document.get_fortran_input()
self.assertEqual(str(ctx.exception),
"Missing input './input' in XML data!")
document.root.append(ElementTree.Element('input'))
with self.assertRaises(XmlDocumentError) as ctx:
document.get_fortran_input()
self.assertEqual(str(ctx.exception),
"Missing input element in XSD schema!")
def test_fortran_input_generator(self):
xml_filename = os.path.join(self.test_dir,
'resources/pw/Al001_relax_bfgs.xml')
document = PwDocument()
document.read(xml_filename)
self.assertFalse(os.path.isfile(self.output_file))
document.write_fortran_input(self.output_file)
with open(self.output_file) as f:
fortran_input = f.read()
if os.path.isfile(self.output_file):
os.unlink(self.output_file)
self.assertFalse(os.path.isfile(self.output_file))
self.assertEqual(fortran_input[:9], '&CONTROL\n')
self.assertEqual(fortran_input, document.get_fortran_input())