def _generate_output_file_name(vanadium_path, sample_path, instrument,
bank):
"""
Generate an output filename in the form INSTRUMENT_VanadiumRunNo_SampleRunNo_BANKS
:param vanadium_path: Path to vanadium data file
:param sample_path: Path to sample data file
:param instrument: The instrument in use.
:param bank: The bank being saved.
:return: The filename, the vanadium run number, and sample run number.
"""
vanadium_no = path_handling.get_run_number_from_path(
vanadium_path, instrument)
sample_no = path_handling.get_run_number_from_path(
sample_path, instrument)
filename = instrument + "_" + vanadium_no + "_" + sample_no + "_"
if bank == "all":
filename = filename + "all_banks.prm"
elif bank == "north":
filename = filename + "bank_North.prm"
elif bank == "south":
filename = filename + "bank_South.prm"
elif bank == "cropped":
filename = filename + "cropped.prm"
else:
raise ValueError("Invalid bank name entered")
return filename
def create_output_files(self, calibration_dir, difa, difc, tzero,
sample_path, vanadium_path, instrument, bank,
spectrum_numbers):
"""
Create output files from the algorithms in the specified directory
:param calibration_dir: The directory to save the files into.
:param difa: DIFA values from calibration algorithm
:param difc: DIFC values from the calibration algorithm.
:param tzero: TZERO values from the calibration algorithm.
:param sample_path: The path to the sample data file.
:param vanadium_path: The path to the vanadium data file.
:param instrument: The instrument (ENGINX or IMAT)
:param bank: Optional parameter to crop by bank
:param spectrum_numbers: Optional parameter to crop using spectrum numbers.
"""
kwargs = {
"ceria_run":
path_handling.get_run_number_from_path(sample_path, instrument),
"vanadium_run":
path_handling.get_run_number_from_path(vanadium_path, instrument)
}
def south_kwargs():
kwargs["template_file"] = SOUTH_BANK_TEMPLATE_FILE
kwargs["bank_names"] = ["South"]
def north_kwargs():
kwargs["template_file"] = NORTH_BANK_TEMPLATE_FILE
kwargs["bank_names"] = ["North"]
def generate_output_file(difa_list, difc_list, tzero_list, bank_name,
kwargs_to_pass):
file_path = calibration_dir + self._generate_output_file_name(
vanadium_path, sample_path, instrument, bank=bank_name)
write_ENGINX_GSAS_iparam_file(file_path, difa_list, difc_list,
tzero_list, **kwargs_to_pass)
if not path.exists(calibration_dir):
makedirs(calibration_dir)
if bank is None and spectrum_numbers is None:
generate_output_file(difa, difc, tzero, "all", kwargs)
north_kwargs()
generate_output_file([difa[0]], [difc[0]], [tzero[0]], "north",
kwargs)
south_kwargs()
generate_output_file([difa[1]], [difc[1]], [tzero[1]], "south",
kwargs)
elif bank == "1":
north_kwargs()
generate_output_file([difa[0]], [difc[0]], [tzero[0]], "north",
kwargs)
elif bank == "2":
south_kwargs()
generate_output_file([difa[0]], [difc[0]], [tzero[0]], "south",
kwargs)
elif bank is None: # Custom cropped files use the north bank template.
north_kwargs()
generate_output_file([difa[0]], [difc[0]], [tzero[0]], "cropped",
kwargs)
def fetch_correction_workspaces(vanadium_path, instrument, rb_num=""):
"""
Fetch workspaces from the file system or create new ones.
:param vanadium_path: The path to the requested vanadium run raw data.
:param instrument: The instrument the data came from.
:param rb_num: A user identifier, usually an experiment number.
:return: The resultant integration and curves workspaces.
"""
vanadium_number = path_handling.get_run_number_from_path(vanadium_path, instrument)
integ_path, curves_path = _generate_saved_workspace_file_paths(vanadium_number)
force_recalc = get_setting(path_handling.INTERFACES_SETTINGS_GROUP,
path_handling.ENGINEERING_PREFIX, "recalc_vanadium", return_type=bool)
if path.exists(curves_path) and path.exists(integ_path) and not force_recalc: # Check if the cached files exist.
try:
integ_workspace = Load(Filename=integ_path, OutputWorkspace=INTEGRATED_WORKSPACE_NAME)
curves_workspace = Load(Filename=curves_path, OutputWorkspace=CURVES_WORKSPACE_NAME)
if rb_num:
user_integ, user_curves = _generate_saved_workspace_file_paths(vanadium_number,
rb_num=rb_num)
if not path.exists(user_integ) and not path.exists(user_curves):
_save_correction_files(integ_workspace, user_integ, curves_workspace,
user_curves)
return integ_workspace, curves_workspace
except RuntimeError as e:
logger.error(
"Problem loading existing vanadium calculations. Creating new files. Description: "
+ str(e))
integ_workspace, curves_workspace = _calculate_vanadium_correction(vanadium_path)
_save_correction_files(integ_workspace, integ_path, curves_workspace, curves_path)
if rb_num:
user_integ, user_curves = _generate_saved_workspace_file_paths(vanadium_number,
rb_num=rb_num)
_save_correction_files(integ_workspace, user_integ, curves_workspace, user_curves)
return integ_workspace, curves_workspace
def focus_run(self, sample_paths, banks, plot_output, instrument, rb_num,
spectrum_numbers):
"""
Focus some data using the current calibration.
:param sample_paths: The paths to the data to be focused.
:param banks: The banks that should be focused.
:param plot_output: True if the output should be plotted.
:param instrument: The instrument that the data came from.
:param rb_num: The experiment number, used to create directories. Can be None
:param spectrum_numbers: The specific spectra that should be focused. Used instead of banks.
"""
if not Ads.doesExist(vanadium_corrections.INTEGRATED_WORKSPACE_NAME
) and not Ads.doesExist(
vanadium_corrections.CURVES_WORKSPACE_NAME):
return
integration_workspace = Ads.retrieve(
vanadium_corrections.INTEGRATED_WORKSPACE_NAME)
curves_workspace = Ads.retrieve(
vanadium_corrections.CURVES_WORKSPACE_NAME)
output_workspaces = [] # List of collated workspaces to plot.
full_calib_path = get_setting(path_handling.INTERFACES_SETTINGS_GROUP,
path_handling.ENGINEERING_PREFIX,
"full_calibration")
if full_calib_path is not None and path.exists(full_calib_path):
full_calib_workspace = LoadAscii(full_calib_path,
OutputWorkspace="det_pos",
Separator="Tab")
else:
full_calib_workspace = None
if spectrum_numbers is None:
for sample_path in sample_paths:
sample_workspace = path_handling.load_workspace(sample_path)
run_no = path_handling.get_run_number_from_path(
sample_path, instrument)
workspaces_for_run = []
for name in banks:
output_workspace_name = str(
run_no) + "_" + FOCUSED_OUTPUT_WORKSPACE_NAME + str(
name)
self._run_focus(sample_workspace, output_workspace_name,
integration_workspace, curves_workspace,
name, full_calib_workspace)
workspaces_for_run.append(output_workspace_name)
# Save the output to the file system.
self._save_output(instrument, sample_path, name,
output_workspace_name, rb_num)
output_workspaces.append(workspaces_for_run)
else:
for sample_path in sample_paths:
sample_workspace = path_handling.load_workspace(sample_path)
run_no = path_handling.get_run_number_from_path(
sample_path, instrument)
output_workspace_name = str(
run_no) + "_" + FOCUSED_OUTPUT_WORKSPACE_NAME + "cropped"
self._run_focus(sample_workspace, output_workspace_name,
integration_workspace, curves_workspace, None,
full_calib_workspace, spectrum_numbers)
output_workspaces.append([output_workspace_name])
self._save_output(instrument, sample_path, "cropped",
output_workspace_name, rb_num)
# Plot the output
if plot_output:
for ws_names in output_workspaces:
self._plot_focused_workspaces(ws_names)
def _generate_output_file_name(instrument, sample_path, bank, suffix):
run_no = path_handling.get_run_number_from_path(
sample_path, instrument)
return instrument + "_" + run_no + "_bank_" + bank + suffix
