def gen_fps(): """generate finger print files""" global data_src ,output_dir logger = TaskFileLogger("GenFP") h_vars = load_hydro_var() if not os.path.exists(output_dir): os.mkdir(output_dir) for h_type,var_d in h_vars.items(): print "considering %s" %h_type t_output_dir = os.path.join(output_dir,h_type) if not os.path.exists(t_output_dir): print "creating path %s" %t_output_dir os.mkdir(t_output_dir) logger.log("%s started" %(h_type)) for fname in glob.glob(data_src): complex_id = os.path.basename(fname).split('.')[0] fp_path = os.path.join(t_output_dir,complex_id + ".fp" ) if os.path.exists(fp_path): #print "%s processed" %complex_id continue print "processing %s,fp saved as %s" %(fname , fp_path ) c = Complex(fname,hydro_dict = var_d) c.get_fp() c.write_fp_to_file(fp_path) logger.log("%s finished" %(h_type))
def do_gen_mat_task(h_name): """generate the similarity matrix""" logger = TaskFileLogger("GenMat") global fp_root,db logger.log("%s started" %(h_name)) gen_sim_matrix(db,\ col_name = "%s_dist_mat" %h_name,\ fp_dir = os.path.join(fp_root,h_name)) logger.log("%s finished" %(h_name))