def test_parse_compound_yaml_file(self):
path = self.write_model_file(
'compounds.yaml', '\n'.join([
'- id: h2o', ' name: Water', ' formula: H2O',
' user_annotation: ABC'
]))
compounds = list(native.parse_compound_file(path, 'yaml'))
self.assertEqual(len(compounds), 1)
self.assertEqual(compounds[0].id, 'h2o')
self.assertEqual(compounds[0].name, 'Water')
self.assertEqual(compounds[0].formula, 'H2O')
self.assertEqual(compounds[0].properties['user_annotation'], 'ABC')
def test_parse_compound_yaml_file(self):
path = self.write_model_file('compounds.yaml', '\n'.join([
'- id: h2o',
' name: Water',
' formula: H2O',
' user_annotation: ABC'
]))
compounds = list(native.parse_compound_file(path, 'yaml'))
self.assertEqual(len(compounds), 1)
self.assertEqual(compounds[0].id, 'h2o')
self.assertEqual(compounds[0].name, 'Water')
self.assertEqual(compounds[0].formula, 'H2O')
self.assertEqual(compounds[0].properties['user_annotation'], 'ABC')
def test_parse_compound_tsv_file(self):
path = self.write_model_file('compounds.tsv', '\n'.join([
'id\tname\tformula\tcharge\tkegg\tcas',
'h2o\tWater\tH2O\t0\tC00001\t7732-18-5'
]))
compounds = list(native.parse_compound_file(path, 'tsv'))
self.assertEqual(len(compounds), 1)
self.assertEqual(compounds[0].id, 'h2o')
self.assertEqual(compounds[0].name, 'Water')
self.assertEqual(compounds[0].properties['name'], 'Water')
self.assertEqual(compounds[0].formula, 'H2O')
self.assertEqual(compounds[0].charge, 0)
self.assertEqual(compounds[0].kegg, 'C00001')
self.assertEqual(compounds[0].cas, '7732-18-5')
def test_parse_compound_tsv_file(self):
path = self.write_model_file('compounds.tsv', '\n'.join([
'id\tname\tformula\tcharge\tkegg\tcas',
'h2o\tWater\tH2O\t0\tC00001\t7732-18-5'
]))
compounds = list(native.parse_compound_file(path, 'tsv'))
self.assertEqual(len(compounds), 1)
self.assertEqual(compounds[0].id, 'h2o')
self.assertEqual(compounds[0].name, 'Water')
self.assertEqual(compounds[0].properties['name'], 'Water')
self.assertEqual(compounds[0].formula, 'H2O')
self.assertEqual(compounds[0].charge, 0)
self.assertEqual(compounds[0].kegg, 'C00001')
self.assertEqual(compounds[0].cas, '7732-18-5')
