def __init__(self, query=None):
self.string = query
self.query = None
self.card = _target_df.copy()
self.run_query()
self.update_results(index_result=0)
def update_results(self,index_result=0):
uniprot_id = self.query[index_result][0]
self.card = _target_df.copy()
self.card = self.card.append(_target_id_2_card_dict(uniprot_id), ignore_index=True)
self.compounds = _compound_from_target_df.copy()
self.interactions = None
def __init__(self, query=None):
self.string = query
self.query = None
self.card = _target_df.copy()
self.compounds = _compound_from_target_df.copy()
if query is not None:
self.run_query()
def info_results(self):
from chembl_webresource_client.new_client import new_client
tmp_df = _target_df.copy()
for result in self.query:
chembl_id = result['target_chembl_id']
tmp_df =tmp_df.append(_target_id_2_card_dict(chembl_id, new_client),ignore_index=True)
del(new_client)
return tmp_df
def info_results(self,last=30):
tmp_df = _target_df.copy()
ii=0
for result in self.query:
uniprot_id = result[0]
tmp_df =tmp_df.append(_target_id_2_card_dict(uniprot_id),ignore_index=True)
ii+=1
if ii==last:
break
return tmp_df
def update_results(self,index_result=0):
from chembl_webresource_client.new_client import new_client
chembl_id = self.query[index_result]['target_chembl_id']
self.card = _target_df.copy()
self.card =self.card.append(_target_id_2_card_dict(chembl_id, new_client),ignore_index=True)
self.activity_filter = new_client.molecule.filter(target_chembl_id__in=chembl_id)
self.molecule_filter = new_client.activity.filter(target_chembl_id__in=chembl_id)
self.compounds = _compound_from_target_df.copy()
for result in self.molecule_filter:
tmp_dict = _compound_from_target_2_card_dict(result, new_client)
self.compounds = self.compounds.append(tmp_dict,ignore_index=True)