def test_structural_properties(self, mock_json_retriever):
mock_json_retriever.return_value = {
"iupacName": "2,3-dihydro-1,4-benzodioxin",
"smiles": "OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F",
"inchi": "InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10",
"inchiKey": "NYSDRDDQELAVKP-SFHVURJKSA-N",
"oneLetterSeq": "ILK",
"threeLetterSeq": "Ile-Leu-Lys",
"postTranslationalModifications": "Glycosylation",
"chemicalModifications": "Methylation"
}
ligand = Ligand(self.ligand_json)
self.assertEqual(ligand.iupac_name(), "2,3-dihydro-1,4-benzodioxin")
self.assertEqual(
ligand.smiles(),
"OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F"
)
self.assertEqual(
ligand.inchi(),
"InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10"
)
self.assertEqual(ligand.inchi_key(), "NYSDRDDQELAVKP-SFHVURJKSA-N")
self.assertEqual(ligand.one_letter_sequence(), "ILK")
self.assertEqual(ligand.three_letter_sequence(), "Ile-Leu-Lys")
self.assertEqual(
ligand.post_translational_modifications(),
"Glycosylation"
)
self.assertEqual(ligand.chemical_modifications(), "Methylation")
def test_structural_properties(self, mock_json_retriever):
mock_json_retriever.return_value = {
"iupacName": "2,3-dihydro-1,4-benzodioxin",
"smiles": "OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F",
"inchi":
"InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10",
"inchiKey": "NYSDRDDQELAVKP-SFHVURJKSA-N",
"oneLetterSeq": "ILK",
"threeLetterSeq": "Ile-Leu-Lys",
"postTranslationalModifications": "Glycosylation",
"chemicalModifications": "Methylation"
}
ligand = Ligand(self.ligand_json)
self.assertEqual(ligand.iupac_name(), "2,3-dihydro-1,4-benzodioxin")
self.assertEqual(
ligand.smiles(),
"OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F")
self.assertEqual(
ligand.inchi(),
"InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10")
self.assertEqual(ligand.inchi_key(), "NYSDRDDQELAVKP-SFHVURJKSA-N")
self.assertEqual(ligand.one_letter_sequence(), "ILK")
self.assertEqual(ligand.three_letter_sequence(), "Ile-Leu-Lys")
self.assertEqual(ligand.post_translational_modifications(),
"Glycosylation")
self.assertEqual(ligand.chemical_modifications(), "Methylation")
def test_structural_properties_when_no_json(self, mock_json_retriever):
mock_json_retriever.return_value = None
ligand = Ligand(self.ligand_json)
self.assertIs(ligand.iupac_name(), None)
self.assertIs(ligand.smiles(), None)
self.assertIs(ligand.inchi(), None)
self.assertIs(ligand.inchi_key(), None)
self.assertIs(ligand.one_letter_sequence(), None)
self.assertIs(ligand.three_letter_sequence(), None)
self.assertIs(ligand.post_translational_modifications(), None)
self.assertIs(ligand.chemical_modifications(), None)
def test_structural_properties_when_no_json(self, mock_json_retriever):
mock_json_retriever.return_value = None
ligand = Ligand(self.ligand_json)
self.assertIs(ligand.iupac_name(), None)
self.assertIs(ligand.smiles(), None)
self.assertIs(ligand.inchi(), None)
self.assertIs(ligand.inchi_key(), None)
self.assertIs(ligand.one_letter_sequence(), None)
self.assertIs(ligand.three_letter_sequence(), None)
self.assertIs(ligand.post_translational_modifications(), None)
self.assertIs(ligand.chemical_modifications(), None)