def __get_pool_set(self): # Retrieves the pool set from the parsed Excel data stream. self.add_debug("Obtain pool set ...") handler = PoolCreationSetParserHandler(self.stream, parent=self) self.__pool_set = handler.get_result() parsed_num_designs = handler.get_number_designs() if parsed_num_designs != self.number_designs: msg = ( "The number of designs per molecule design pool in the " "request file (%i) differs from the requested number of " "designs (%i)." % (parsed_num_designs, self.number_designs) ) self.add_error(msg) agg = get_root_aggregate(IMoleculeType) md_type = agg.get_by_id(self.molecule_type) parsed_mol_type = handler.get_molecule_type() if parsed_mol_type != md_type: msg = ( "The molecule type of the pools in the request file (%s) " "differs from the requested molecule type (%s)." % (parsed_mol_type, self.molecule_type) ) self.add_error(msg) if self.__pool_set is None: msg = "Unable to parse library pool set!" self.add_error(msg)
def __get_pool_set(self): # Also sets the stock concentration. self.add_debug('Obtain pool set ...') handler = PoolCreationSetParserHandler(self.stream, parent=self) self.__pool_set = handler.get_result() if self.__pool_set is None: msg = 'Unable to parse pool set!' self.add_error(msg) else: self.__number_designs = handler.get_number_designs() mt = handler.get_molecule_type() # In theory we could check the default stock concentrations for # all the single molecule designs. However, for this we would have # to get the corresponding pools first. Since the handler already # made sure that we have equal molecule types and also the number # of designs (1) is always equal it is very unlikely to stumble # across a different concentration. Even so, the optimizer would # not find proper stock samples for these designs. self.__stock_concentration = get_default_stock_concentration(mt)
def __get_pool_set(self): # Retrieves the pool set from the parsed Excel data stream. self.add_debug('Obtain pool set ...') handler = PoolCreationSetParserHandler(self.stream, parent=self) self.__pool_set = handler.get_result() parsed_num_designs = handler.get_number_designs() if parsed_num_designs != self.number_designs: msg = 'The number of designs per molecule design pool in the ' \ 'request file (%i) differs from the requested number of ' \ 'designs (%i).' % (parsed_num_designs, self.number_designs) self.add_error(msg) agg = get_root_aggregate(IMoleculeType) md_type = agg.get_by_id(self.molecule_type) parsed_mol_type = handler.get_molecule_type() if parsed_mol_type != md_type: msg = 'The molecule type of the pools in the request file (%s) ' \ 'differs from the requested molecule type (%s).' \ % (parsed_mol_type, self.molecule_type) self.add_error(msg) if self.__pool_set is None: msg = 'Unable to parse library pool set!' self.add_error(msg)