def setUp(self): super(ServiceTest, self).setUp() api = KnowledgeHubAPI() api.set_server('DEV') api.login(self.username, self.password) self.services = Services( api, 'https://dev.toxhub.etransafe.eu/registry.kh.svc/api/v1')
def main(): parser = argparse.ArgumentParser(description='test similarity service') parser.add_argument('-username', required=True, help='username') parser.add_argument('-password', required=True, help='password') args = parser.parse_args() api = KnowledgeHubAPI() api.set_server('DEV') api = KnowledgeHubAPI(server='TEST', client_secret='39c644b3-1f23-4d94-a71f-e0fb43ebd760') api.login('*****@*****.**', 'Crosby99!') status = api.SimilarityService().spaces() print(f'status={status}') omeprazole = 'COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1' # omeprazole = 'CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1-Cl' similar_compounds = api.SimilarityService().get(omeprazole) pprint.pprint(similar_compounds)