def write_results(bins, bins_data, src_file):
base_fname = os.path.splitext(src_file)[0]
xyz_file = base_fname + '.xyz'
move_existing_file(xyz_file)
log_file = base_fname + '.log'
move_existing_file(log_file)
with open(xyz_file, 'w') as xyz:
xyz.write(str(len(bins_data)) + '\n')
xyz.write("{} {}\n".format(src_file, datetime.datetime.today()))
with open(log_file, 'w') as bin_log:
csv_log = csv.writer(bin_log)
csv_log.writerow(
("bin", "count", "ax", "dx", "ay", "dy", "az", "dz"))
for cur_bin in bins:
if cur_bin in bins_data:
bin_coords = bins_data[cur_bin]
bin_mean = list(map(np.mean, zip(*bin_coords)))
bin_stdev = list(map(np.std, zip(*bin_coords)))
xyz.write(
"B {: .4f} {: .4f} {: .4f}\n".format(*bin_mean))
merged_xyz = [
item for sublist in zip(bin_mean, bin_stdev)
for item in sublist
]
csv_log.writerow(
[FLOAT_FMT.format(cur_bin),
len(bin_coords)] +
[FLOAT_FMT.format(coord) for coord in merged_xyz])
def main(argv=None):
"""
Runs the main program.
:param argv: The command line arguments.
:return: The return code for the program's termination.
"""
args, ret = parse_cmdline(argv)
if ret != GOOD_RET or args is None:
return ret
cfg = args.config
try:
tpl_str = read_tpl(cfg[PAR_TPL])
tpl_dict = dict(cfg[TPL_VALS])
for f_name_key in [BEST_PARAMS_FNAME, FITTING_SUM_FNAME]:
if cfg[f_name_key] is not None:
move_existing_file(cfg[f_name_key])
if len(cfg[OPT_PARAMS]) == 0:
warning(
"No parameters will be optimized, as no parameters were listed for the keyword '{}' "
"in the '{}' section of the configuration file.".format(
OPT_PARAMS, MAIN_SEC))
eval_eqs(cfg, tpl_dict)
fill_save_tpl(cfg,
tpl_str,
tpl_dict,
cfg[PAR_TPL],
cfg[PAR_FILE_NAME],
print_info=cfg[PRINT_INFO])
trial_result = float(
check_output([cfg[BASH_DRIVER], tpl_dict[NEW_FNAME]]).strip())
tpl_dict[RESID] = round(trial_result, cfg[NUM_PARAM_DECIMALS])
if cfg[PAR_COPY_NAME] is not None or cfg[RESULT_COPY] is not None:
copy_par_result_file(cfg, tpl_dict)
print("Result without optimizing parameters: {}".format(
trial_result))
else:
min_params(cfg, tpl_dict, tpl_str)
except (TemplateNotReadableError, IOError) as e:
warning("Problems reading file: {}".format(e))
return IO_ERROR
except (KeyError, InvalidDataError, ValueError) as e:
warning(e)
return IO_ERROR
return GOOD_RET
def write_results(bins, bins_data, src_file):
base_fname = os.path.splitext(src_file)[0]
xyz_file = base_fname + '.xyz'
move_existing_file(xyz_file)
log_file = base_fname + '.log'
move_existing_file(log_file)
with open(xyz_file, 'w') as xyz:
xyz.write(str(len(bins_data)) + '\n')
xyz.write("{} {}\n".format(src_file, datetime.datetime.today()))
with open(log_file, 'w') as bin_log:
csv_log = csv.writer(bin_log)
csv_log.writerow(("bin", "count", "ax", "dx", "ay", "dy", "az", "dz"))
for cur_bin in bins:
if cur_bin in bins_data:
bin_coords = bins_data[cur_bin]
bin_mean = list(map(np.mean, zip(*bin_coords)))
bin_stdev = list(map(np.std, zip(*bin_coords)))
xyz.write("B {: .4f} {: .4f} {: .4f}\n".format(
*bin_mean))
merged_xyz = [item for sublist in zip(bin_mean, bin_stdev) for item in sublist]
csv_log.writerow([FLOAT_FMT.format(cur_bin), len(bin_coords)] +
[FLOAT_FMT.format(coord) for coord in merged_xyz])