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')