itasserprop.py 文件源码

def df_coach_bsites(self):
        df_cols = ['site_num', 'c_score', 'cluster_size', 'algorithm',
                   'pdb_template_id', 'pdb_template_chain', 'pdb_ligand',
                   'binding_location_coords', 'c_score_method', 'binding_residues',
                   'ligand_cluster_counts']

        bsites_inf_df = pd.DataFrame.from_records(self.coach_bsites, columns=df_cols).drop_duplicates().reset_index(drop=True)

        if bsites_inf_df.empty:
            log.warning('Empty dataframe')
            return bsites_inf_df
        else:
            bsites_inf_df['c_score'] = pd.to_numeric(bsites_inf_df.c_score, errors='coerce')
            bsites_inf_df['cluster_size'] = pd.to_numeric(bsites_inf_df.cluster_size, errors='coerce')
            return ssbio.utils.clean_df(bsites_inf_df)