Пример #1
0
    def pass_data_on(self, data_setters):
        """Write the data from the getters to the setters.

        :param data_setters: a series of functions that can fill a chemical
        data structure
        :type data_setters: DataTransferInterface
        """
        data_setters.init_structure(self.num_bonds, len(self.x_coord_list), len(self.group_type_list),
                                    len(self.chain_id_list), len(self.chains_per_model), self.structure_id)
        decoder_utils.add_entity_info(self, data_setters)
        decoder_utils.add_atomic_information(self, data_setters)
        decoder_utils.add_header_info(self, data_setters)
        decoder_utils.add_xtalographic_info(self, data_setters)
        decoder_utils.generate_bio_assembly(self, data_setters)
        decoder_utils.add_inter_group_bonds(self, data_setters)
        data_setters.finalize_structure()
Пример #2
0
    def pass_data_on(self, data_setters):
        """Write the data from the getters to the setters.

        Attributes
        ----------
            data_setters (DataTransferInterface): a series of functions that can\
                                                  fill a chemical
        """
        self.set_alt_loc_list()
        data_setters.init_structure(self.num_bonds, len(self.x_coord_list), len(self.group_type_list),
                                    len(self.chain_id_list), len(self.chains_per_model), self.structure_id)
        decoder_utils.add_entity_info(self, data_setters)
        decoder_utils.add_atomic_information(self, data_setters)
        decoder_utils.add_header_info(self, data_setters)
        decoder_utils.add_xtalographic_info(self, data_setters)
        decoder_utils.generate_bio_assembly(self, data_setters)
        decoder_utils.add_inter_group_bonds(self, data_setters)
        data_setters.finalize_structure()