diff --git a/addie/config.json b/addie/config.json index fe6b97ed..157a4bf8 100644 --- a/addie/config.json +++ b/addie/config.json @@ -29,7 +29,6 @@ "max": 40, "delta": 0.02 }, - "reduction_configuration_file": "", "characterization_file": "" }, "bragg": { diff --git a/addie/main.py b/addie/main.py index 101ec2fe..fc390e72 100644 --- a/addie/main.py +++ b/addie/main.py @@ -131,6 +131,9 @@ class MainWindow(QMainWindow): intermediate_grouping = copy.deepcopy(grouping_dict) output_grouping = copy.deepcopy(grouping_dict) + advanced_dict = {'push_bkg': False, + 'ele_size': "1.0"} + statusbar_display_time = 5000 # 5s # external ui (use to make sure there is only one open at a time diff --git a/addie/processing/mantid/launch_reduction.py b/addie/processing/mantid/launch_reduction.py old mode 100644 new mode 100755 index e9ece38d..733d342a --- a/addie/processing/mantid/launch_reduction.py +++ b/addie/processing/mantid/launch_reduction.py @@ -1,65 +1,8 @@ import os -import traceback -from mantidqt.utils.asynchronous import AsyncTask +import json from addie.processing.mantid.master_table.master_table_exporter import TableFileExporter as MantidTableExporter -# Mantid Total Scattering integration -# (https://github.com/neutrons/mantid_total_scattering) -try: - import total_scattering - print("Mantid Total Scattering Version: ", total_scattering.__version__) - from total_scattering.reduction.total_scattering_reduction import TotalScatteringReduction - MANTID_TS_ENABLED = True -except ImportError: - print('total_scattering module not found. Functionality disabled') - MANTID_TS_ENABLED = False - - -class JobPool(object): - task_output = None, - running = None - task_exc_type, task_exc, task_exc_stack = None, None, None - - def __init__(self, configurations): - self.jobs = [] - for config in configurations: - print("CONFIG:", config) - self.jobs.append(AsyncTask(TotalScatteringReduction, args=(config,), - success_cb=self.on_success, error_cb=self.on_error, - finished_cb=self.on_finished)) - - def _start_next(self): - if self.jobs: - self.running = self.jobs.pop(0) - self.running.start() - else: - self.running = None - - def start(self): - if not self.jobs: - raise RuntimeError('Cannot start empty job list') - self._start_next() - - def on_success(self, task_result): - # TODO should emit a signal - self.task_output = task_result.output - print('SUCCESS!!! {}'.format(self.task_output)) - - def on_error(self, task_result): - # TODO should emit a signal - print('ERROR!!!') - self.task_exc_type = task_result.exc_type - self.task_exc = task_result.exc_value - self.task_exc_stack = traceback.extract_tb(task_result.stack) - traceback.print_tb(task_result.stack) - print(task_result) - - def on_finished(self): - '''Both success and failure call this method afterwards''' - # TODO should emit a signal - self._start_next() # kick off the next one in the pool - def run_mantid(parent): num_rows = parent.processing_ui.h3_table.rowCount() @@ -87,28 +30,56 @@ def run_mantid(parent): filename = os.path.join(os.path.expanduser('~'),'.mantid' ,'JSON_output',dictionary['Title'] +'_'+ str(row) + '.json') exporter.export(filename,row) print("Row",row,"Successfully output to",filename) - - # append the individual rows to input list (reduction_inputs) - reduction_inputs = [] - for row in range(num_rows): - if not exporter.isActive(row): - print('skipping row {} - inactive'.format(row + 1)) # REMOVE? - continue - print('Will be running row {} for reduction'.format(row + 1)) # TODO should be debug logging - json_input = exporter.retrieve_row_info(row)[0] - reduction_input = exporter.convert_from_row_to_reduction(json_input) - if not reduction_input: - return - reduction_inputs.append(reduction_input) - if len(reduction_inputs) == 0: - print('None of the rows were activated') - return - - # locate total scattering script - if MANTID_TS_ENABLED: - pool = JobPool(reduction_inputs) - pool.start() - else: - # TODO should be on the status bar - print('total_scattering module not found. Functionality disabled') - return + with open(filename) as json_file: + data_tmp = json.load(json_file) + dict_out_tmp = {} + container_type="" + for key, item in data_tmp.items(): + if "Sample" in key: + sample_tmp = {} + for key_s, item_s in item.items(): + if "Density" not in key_s: + if "Material" in key_s: + string_tmp = item_s.replace("(", "").replace(")", "") + sample_tmp[key_s] = string_tmp + else: + sample_tmp[key_s] = item_s + if "Geometry" in key_s: + known_shape = ["PAC03", "PAC06", "PAC08", + "PAC10", "QuartzTube03"] + if item_s["Shape"] in known_shape: + shape_tmp = "Cylinder" + container_type = item_s["Shape"] + else: + shape_tmp = item_s["Shape"] + geo_dict_tmp = {} + for key_tmp in item_s: + geo_dict_tmp[key_tmp] = item_s[key_tmp] + geo_dict_tmp["Shape"] = shape_tmp + sample_tmp[key_s] = geo_dict_tmp + else: + sample_tmp["MassDensity"] = float(item_s["MassDensity"]) + dict_out_tmp[key] = sample_tmp + elif "Normalization" in key or "Normalisation" in key: + van_tmp = {} + for key_v, item_v in item.items(): + if "Density" not in key_v: + if "Material" in key_v: + string_tmp = item_v.replace("(", "").replace(")", "") + van_tmp[key_v] = string_tmp + else: + van_tmp[key_v] = item_v + else: + van_tmp["MassDensity"] = float(item_v["MassDensity"]) + dict_out_tmp[key] = van_tmp + else: + dict_out_tmp[key] = item + if container_type: + dict_out_tmp["Environment"] = { "Name": "InAir", + "Container": container_type} + filename_to_run = os.path.join(os.path.expanduser('~'),'.mantid' ,'JSON_output', 'running_tmp.json') + with open(filename_to_run, 'w') as outfile: + json.dump(dict_out_tmp, outfile, indent=2) + _script_to_run = "bash /SNS/NOM/shared/scripts/mantidtotalscattering/run_mts.sh " + filename_to_run + parent.launch_job_manager(job_name='MantidTotalScattering', + script_to_run=_script_to_run) diff --git a/addie/processing/mantid/make_calibration_handler/make_calibration.py b/addie/processing/mantid/make_calibration_handler/make_calibration.py old mode 100644 new mode 100755 index b1133870..4e61d21f --- a/addie/processing/mantid/make_calibration_handler/make_calibration.py +++ b/addie/processing/mantid/make_calibration_handler/make_calibration.py @@ -3,7 +3,6 @@ from qtpy.QtWidgets import (QMainWindow, QComboBox, QFileDialog, QHBoxLayout, QLabel, QDateEdit, QLineEdit, QPushButton, QTableWidgetItem, QVBoxLayout, QWidget) from addie.utilities import load_ui -from addie.widgets.filedialog import get_save_file from qtpy import QtCore import datetime @@ -34,7 +33,7 @@ def __init__(self, parent=None): class MakeCalibrationWindow(QMainWindow): - table_column_width = [60, 250, 350, 350, 90, 300] + table_column_width = [60, 250, 600, 90, 300] table_row_height = 85 entry_level = 0 @@ -49,9 +48,6 @@ class MakeCalibrationWindow(QMainWindow): "calibration_value", "calibration_browser", "calibration_browser_value", - "vanadium_value", - "vanadium_browser", - "vanadium_browser_value", "date", "output_dir_browser", "output_dir_value", @@ -175,17 +171,6 @@ def get_run_number_from_nexus_file_name(self, base_nexus_name=''): return result.group(1) return None - def vanadium_browser_clicked(self, entry=""): - sample_type = "Vanadium" - value_ui = self.master_list_ui[entry].vanadium_browser_value - - [_file, run_number] = self._general_browser_clicked(sample_type=sample_type, - value_ui=value_ui) - if _file: - self.master_list_value[entry]["vanadium_browser"] = _file - self.master_list_ui[entry].vanadium_value.setText(str(run_number)) - self.check_run_calibration_status() - def calibration_browser_clicked(self, entry=""): sample_type = "Calibration" value_ui = self.master_list_ui[entry].calibration_browser_value @@ -273,41 +258,14 @@ def __insert_new_row(self, row=-1): col1_widget.setLayout(verti_layout) self.ui.tableWidget.setCellWidget(row, col, col1_widget) - # new column - Vanadium - col = 3 - # first row - # first row - label = QLabel("Run #:") - vana_value = QLineEdit("") - vana_value.returnPressed.connect(lambda entry=_name: self.run_entered(entry)) - vana_browser_button = QPushButton("Browse...") - vana_browser_button.setMinimumWidth(button_width) - vana_browser_button.setMaximumWidth(button_width) - vana_browser_button.clicked.connect(lambda state, entry=_name: self.vanadium_browser_clicked(entry)) - first_row = QHBoxLayout() - first_row.addWidget(label) - first_row.addWidget(vana_value) - first_row.addWidget(vana_browser_button) - first_row_widget = QWidget() - first_row_widget.setLayout(first_row) - # second row - vana_browser_button_value = QLabel("N/A") - - verti_layout = QVBoxLayout() - verti_layout.addWidget(first_row_widget) - verti_layout.addWidget(vana_browser_button_value) - col1_widget = QWidget() - col1_widget.setLayout(verti_layout) - self.ui.tableWidget.setCellWidget(row, col, col1_widget) - # new column - date - col = 4 + col = 3 date = QDateEdit() date.setDate(self.master_date_value) self.ui.tableWidget.setCellWidget(row, col, date) # new column - output dir - col = 5 + col = 4 browser_button = QPushButton("Browse...") browser_button.setMinimumWidth(button_width) browser_button.setMaximumWidth(button_width) @@ -329,18 +287,13 @@ def __insert_new_row(self, row=-1): calibration_value=cali_value, calibration_browser=cali_browser_button, calibration_browser_value=cali_browser_button_value, - vanadium_value=vana_value, - vanadium_browser=vana_browser_button, - vanadium_browser_value=vana_browser_button_value, date=date, output_dir_browser=browser_button, output_dir_value=browser_value, output_reset=reset) self.master_list_ui[_name] = list_local_ui - list_local_name = dict(vanadium_run_number="", - vanadium_browser="", - calibration_run_number="", + list_local_name = dict(calibration_run_number="", calibration_browser="") self.master_list_value[_name] = list_local_name @@ -359,10 +312,6 @@ def _check_status_of_row(self, row=-1): if not self._check_local_column(run_value = local_list_ui.calibration_value): return False - # Vanadium column - if not self._check_local_column(run_value=local_list_ui.vanadium_value): - return False - # output dir browse_label = local_list_ui.output_dir_value if browse_label.text() == 'N/A': @@ -395,15 +344,37 @@ def check_run_calibration_status(self): self.ui.run_calibration_button.setEnabled(_status) def run_calibration_button_clicked(self): - # make dictionary of all infos + instr_dict = {"NOM": "NOMAD", + "PG3": "PG3}"} o_dict = MakeCalibrationDictionary(parent=self) - _file, _ = get_save_file(parent=self, - caption="Select where and name of json file to create...", - # directory = '/SNS/users/ntm/', - filter={'json (*.json)':'json'}) - if _file: - with open(_file, 'w') as fp: - simplejson.dump(o_dict.dictionary, fp, indent=2, ignore_nan=True) + for calibrant in o_dict.dictionary['Calibrants'].keys(): + calib_tmp_dict = o_dict.dictionary['Calibrants'][calibrant] + calib_file = calib_tmp_dict['Filename'] + calib_date = calib_tmp_dict['Date'].replace("_", "-") + calib_senv = calib_tmp_dict['SampleEnvironment'] + calib_outd = calib_tmp_dict['CalDirectory'] + if "/" in calib_file: + instrument_name = calib_file.split("/")[2] + else: + instrument_name = calib_file.split("_")[0] + calib_control_file = os.path.join('/SNS/', instrument_name, + 'shared/CALIBRATION/Group_calib_scripts', + 'control_' + calibrant + ".dat") + with open(calib_control_file, "w") as calib_f: + calib_f.write("{0:<25s}:: {1:s}\n".format("diamond file", calib_file)) + calib_f.write("{0:<25s}:: {1:s}\n".format("instrument", + instr_dict[instrument_name])) + calib_f.write("{0:<25s}:: {1:s}\n".format("date", calib_date)) + calib_f.write("{0:<25s}:: {1:s}\n".format("sample environment", + calib_senv)) + calib_f.write("{0:<25s}:: {1:s}\n".format("output directory", + calib_outd)) + running_script = os.path.join('/SNS/', instrument_name, + 'shared/CALIBRATION/Group_calib_scripts', + 'running') + running_script += (" " + calib_control_file) + self.parent.launch_job_manager(job_name='MakeCalibration', + script_to_run=running_script) def closeEvent(self, c): self.parent.make_calibration_ui = None @@ -452,15 +423,6 @@ def built_dict(self): else: cali_filename = None - # vanadium run number - vana_run_number = str(local_list_ui.vanadium_value.text()) - - # vanadium full file name (if any) - if str(local_list_ui.vanadium_browser.text()) != "N/A": - vana_filename = str(local_list_value["vanadium_browser"]) - else: - vana_filename = None - # local date _date = local_list_ui.date.date() [year, month, day] = _date.getDate() @@ -472,14 +434,7 @@ def built_dict(self): # local output dir local_output_dir = str(local_list_ui.output_dir_value.text()) - # save data in vanadium dict - vanadium_dict = {} - vanadium_dict["RunNumber"] = vana_run_number - if vana_filename: - vanadium_dict["Filename"] = vana_filename - cali_dict = {} - cali_dict["Vanadium"] = vanadium_dict if cali_filename: cali_dict["Filename"] = cali_filename diff --git a/addie/processing/mantid/master_table/geometry_handler.py b/addie/processing/mantid/master_table/geometry_handler.py index 85fb5da0..98ef72f5 100644 --- a/addie/processing/mantid/master_table/geometry_handler.py +++ b/addie/processing/mantid/master_table/geometry_handler.py @@ -43,7 +43,12 @@ def _sphere_csg_radius(value): table2mantid = { "Cylinder": _table2mantid_cylinder, "Hollow Cylinder": _table2mantid_hollow_cylinder, - "Sphere": _table2mantid_sphere + "Sphere": _table2mantid_sphere, + "PAC03": _table2mantid_cylinder, + "PAC06": _table2mantid_cylinder, + "PAC08": _table2mantid_cylinder, + "PAC10": _table2mantid_cylinder, + "QuartzTube03": _table2mantid_cylinder } @@ -110,7 +115,9 @@ def init_widgets_content(self): height = 'N/A' radius2 = 'N/A' - if self.shape_selected.lower() == 'cylinder': + cylinder_sam = ['cylinder', 'pac03', 'pac06', 'pac08', 'pac10', + 'quartztube03'] + if self.shape_selected.lower() in cylinder_sam: radius = self.__get_label_value('radius') height = self.__get_label_value('height') elif self.shape_selected.lower() == 'sphere': @@ -134,7 +141,9 @@ def init_widgets_layout(self): self.shape_selected = shape_ui.currentText() # hide/show widgets according to shape selected - if self.shape_selected.lower() == 'cylinder': + cylinder_sam = ['cylinder', 'pac03', 'pac06', 'pac08', 'pac10', + 'quartztube03'] + if self.shape_selected.lower() in cylinder_sam: # change label of first label self.ui.radius_label.setText("Radius") # hide radius 2 widgets @@ -179,7 +188,9 @@ def check_save_button(self): radius2 = str(self.ui.radius2_value.text()) height = str(self.ui.height_value.text()) - if self.shape_selected.lower() == 'cylinder': + cylinder_sam = ['cylinder', 'pac03', 'pac06', 'pac08', 'pac10', + 'quartztube03'] + if self.shape_selected.lower() in cylinder_sam: if is_number(radius) and is_number(height): save_button_status = True elif self.shape_selected.lower() == 'sphere': @@ -197,7 +208,9 @@ def accept(self): radius2 = 'N/A' height = 'N/A' - if self.shape_selected.lower() == 'cylinder': + cylinder_sam = ['cylinder', 'pac03', 'pac06', 'pac08', 'pac10', + 'quartztube03'] + if self.shape_selected.lower() in cylinder_sam: height = str(self.ui.height_value.text()) elif self.shape_selected.lower() == 'sphere': pass diff --git a/addie/processing/mantid/master_table/master_table_exporter.py b/addie/processing/mantid/master_table/master_table_exporter.py old mode 100644 new mode 100755 index 997fe186..86fb81df --- a/addie/processing/mantid/master_table/master_table_exporter.py +++ b/addie/processing/mantid/master_table/master_table_exporter.py @@ -4,6 +4,7 @@ import simplejson import numpy as np import os +import re from qtpy.QtCore import Qt @@ -89,22 +90,18 @@ def __init__(self, parent=None): self.outputdir = self.parent.output_folder if not self.parent.reduction_configuration: SaveReductionConfiguration(parent.reduction_configuration_ui, grand_parent=parent) - if self.parent.reduction_configuration['initial'] is False: - self.intermediate_grouping_file = str(self.parent.processing_ui.calibration_file.text()) - if self.intermediate_grouping_file == 'N/A': - self.intermediate_grouping_file = '' + if not self.parent.reduction_configuration['initial']: + self.intermediate_grouping_file = '' else: self.intermediate_grouping_file = self.parent.intermediate_grouping['filename'] - if self.parent.reduction_configuration['output'] is False: - self.output_grouping_file = str(self.parent.processing_ui.calibration_file.text()) - if self.output_grouping_file == 'N/A': - self.output_grouping_file = '' + if not self.parent.reduction_configuration['output']: + self.output_grouping_file = '' else: self.output_grouping_file = self.parent.output_grouping['filename'] self.calibration = str(self.parent.processing_ui.calibration_file.text()) - self.NA_list = ["None","N/A","",np.NaN] + self.NA_list = ["None", "N/A", "", np.NaN] def export(self, filename='', row=None): """create dictionary of all rows unless `row` argument is specified, @@ -120,7 +117,7 @@ def export(self, filename='', row=None): # put together the data to write out if row is not None: - dictionary,activate = self.retrieve_row_info(row) + dictionary, activate = self.retrieve_row_info(row) else: dictionary = self.retrieve_row_infos() # create the directory if it doesn't already exist @@ -282,7 +279,9 @@ def _retrieve_element_infos(self, element='sample', row=-1): self.parent.master_table_list_ui[key][element]['geometry']['radius']['value'].text()) radius2 = 'N/A' height = 'N/A' - if shape in ['Cylinder', 'Hollow Cylinder']: + height_avail = ['Cylinder', 'Hollow Cylinder', 'PAC03', 'PAC06', + 'PAC08', 'PAC10', 'QuartzTube03'] + if shape in height_avail: height = str( self.parent.master_table_list_ui[key][element]['geometry']['height']['value'].text()) elif shape == 'Sphere': @@ -472,8 +471,12 @@ def retrieve_row_info(self, row): self.advanced_params = {"push_data_positive": False, "abs_ms_ele_size": "1.0"} - _export_dictionary_sample["AbsMSParameters"] = {"ElementSize": self.advanced_params["abs_ms_ele_size"]} - _export_dictionary_normalization["AbsMSParameters"] = {"ElementSize": self.advanced_params["abs_ms_ele_size"]} + ele_size_tmp = [float(item) for item in re.split(',| ', self.advanced_params["abs_ms_ele_size"])] + if len(ele_size_tmp) == 1: + _export_dictionary_sample["AbsMSParameters"] = {"ElementSize": ele_size_tmp[0]} + else: + _export_dictionary_sample["AbsMSParameters"] = {"ElementSize": ele_size_tmp[:2]} + _export_dictionary_normalization["AbsMSParameters"] = {"ElementSize": ele_size_tmp[0]} if len(self.scattering_lower) > 0 and len(self.scattering_upper) > 0: bank1_list = [self.scattering_lower[0], self.scattering_upper[0]] @@ -502,7 +505,7 @@ def retrieve_row_info(self, row): 'CacheDir': self.cachedir, 'OutputDir': self.outputdir, "Merging": { - "QBinning": [self.QBin_min,self.QBin_del,self.QBin_max], + "QBinning": [self.QBin_min, self.QBin_del, self.QBin_max], "SumBanks": [], "Characterizations": "", "Grouping": { @@ -525,7 +528,7 @@ def retrieve_row_info(self, row): dictionary = self.delete_empty_rows(dictionary) dictionary.pop('Activate') - return dictionary,activate + return dictionary, activate #Shouldn't delete the main category def delete_empty_rows(self, dictionary): @@ -578,7 +581,7 @@ def retrieve_row_infos(self): # force 3 digits index (to make sure loading back the table will be # done in the same order) full_export_dictionary["{:03}".format( - row)],activate = self.retrieve_row_info(row) + row)], activate = self.retrieve_row_info(row) return full_export_dictionary @@ -760,16 +763,19 @@ def pre_validator(self, json_input): for key in necessary_keys: if key not in json_input: - print(f"Key '{key}' not found in the input. We cannot continue.") + print("Key {0:s} not found in the input. We cannot continue.".format(key)) return False else: if not json_input[key]: - print(f"No valid key found in {key}. We cannot continue.") + print("No valid key found in {0:s}. We cannot continue.".format(key)) return False else: for key_1, item_1 in json_input[key].items(): if item_1 in invalid_values: - print(f"Invalid value '{item_1}' given for key '{key_1}' of '{key}'. We cannot continue.") + str_tmp = "Invalid value '{0:s}' given ".format(item_1) + str_tmp += "for key '{0:s}' ".format(key_1) + str_tmp += "of '{0:s}'. We cannot continue.".format(key) + print(str_tmp) return False return True diff --git a/addie/processing/mantid/master_table/master_table_loader.py b/addie/processing/mantid/master_table/master_table_loader.py old mode 100644 new mode 100755 index b7b00774..cd945e72 --- a/addie/processing/mantid/master_table/master_table_loader.py +++ b/addie/processing/mantid/master_table/master_table_loader.py @@ -5,7 +5,7 @@ import copy import simplejson -from qtpy.QtWidgets import QDialog # , QLabel +from qtpy.QtWidgets import QDialog from addie.utilities import load_ui from qtpy import QtCore, QtGui @@ -267,17 +267,18 @@ def _retrieve_element_dict(self, element='Sample', source_row_entry={}): _target_row_entry['inelastic_correction'] = None if element == 'Sample': _target_row_entry["resonance"] = {} - _target_row_entry["resonance"]["axis"] = _source_entry["Resonance"]["Axis"] - if isinstance(_source_entry["Resonance"]["LowerLimits"], list): - lower_tmp = ",".join([str(item) for item in _source_entry["Resonance"]["LowerLimits"]]) - else: - lower_tmp = _source_entry["Resonance"]["LowerLimits"] - if isinstance(_source_entry["Resonance"]["UpperLimits"], list): - upper_tmp = ",".join([str(item) for item in _source_entry["Resonance"]["UpperLimits"]]) - else: - upper_tmp = _source_entry["Resonance"]["UpperLimits"] - _target_row_entry["resonance"]["lower"] = lower_tmp - _target_row_entry["resonance"]["upper"] = upper_tmp + if "Resonance" in _source_entry: + _target_row_entry["resonance"]["axis"] = _source_entry["Resonance"]["Axis"] + if isinstance(_source_entry["Resonance"]["LowerLimits"], list): + lower_tmp = ",".join([str(item) for item in _source_entry["Resonance"]["LowerLimits"]]) + else: + lower_tmp = _source_entry["Resonance"]["LowerLimits"] + if isinstance(_source_entry["Resonance"]["UpperLimits"], list): + upper_tmp = ",".join([str(item) for item in _source_entry["Resonance"]["UpperLimits"]]) + else: + upper_tmp = _source_entry["Resonance"]["UpperLimits"] + _target_row_entry["resonance"]["lower"] = lower_tmp + _target_row_entry["resonance"]["upper"] = upper_tmp return _target_row_entry @@ -372,6 +373,14 @@ def load(self): nbr_groups = o_grouping.get_number_of_groups() self.parent.output_grouping['nbr_groups'] = nbr_groups + if "AbsMSParameters" in _source_row_entry["Sample"]: + ele_size_val = _source_row_entry["Sample"]["AbsMSParameters"]["ElementSize"] + if type(ele_size_val) == list: + ele_size_val = ",".join([str(item) for item in ele_size_val]) + else: + ele_size_val = str(ele_size_val) + self.parent.advanced_dict["ele_size"] = ele_size_val + first_entry = False o_table_ui_loader = FromDictionaryToTableUi(parent=self.parent) diff --git a/addie/processing/mantid/master_table/reduction_configuration_handler.py b/addie/processing/mantid/master_table/reduction_configuration_handler.py old mode 100644 new mode 100755 index b709de55..d0e102d9 --- a/addie/processing/mantid/master_table/reduction_configuration_handler.py +++ b/addie/processing/mantid/master_table/reduction_configuration_handler.py @@ -81,6 +81,8 @@ def init_widgets(self): self.ui.output_browse_value.setText(output_grouping['filename']) self.ui.output_browse_groups_value.setText(str(output_grouping['nbr_groups'])) + self.ui.abs_ms_ele_size.setText(self.parent.advanced_dict["ele_size"]) + self.init_global_key_value_widgets() self.update_key_value_widgets() @@ -392,7 +394,6 @@ def __init__(self, parent=None, grand_parent=None): data = simplejson.load(f) pdf_q_range = data['pdf']['q_range'] pdf_r_range = data['pdf']['r_range'] - pdf_reduction_configuration_file = data["pdf"]["reduction_configuration_file"] pdf_characterization_file = data["pdf"]["characterization_file"] bragg_characterization_file = data["bragg"]["characterization_file"] @@ -405,7 +406,6 @@ def __init__(self, parent=None, grand_parent=None): else: pdf_q_range = grand_parent.reduction_configuration['pdf']['q_range'] pdf_r_range = grand_parent.reduction_configuration['pdf']['r_range'] - pdf_reduction_configuration_file = grand_parent.reduction_configuration['pdf']['reduction_configuration_file'] pdf_characterization_file = grand_parent.reduction_configuration['pdf']['characterization_file'] bragg_characterization_file = grand_parent.reduction_configuration["bragg"]["characterization_file"] @@ -414,6 +414,7 @@ def __init__(self, parent=None, grand_parent=None): #calibration_file = grand_parent.reduction_configuration["pdf_bragg"]["calibration_file"] push_data_positive = grand_parent.reduction_configuration["advanced"]["push_data_positive"] + abs_ms_ele_size = grand_parent.reduction_configuration["advanced"]["abs_ms_ele_size"] # PDF and Bragg #self._set_text_value(ui=parent.ui.calibration_file, value=calibration_file) @@ -425,7 +426,6 @@ def __init__(self, parent=None, grand_parent=None): self._set_text_value(ui=parent.ui.pdf_r_range_min, value=pdf_r_range["min"]) self._set_text_value(ui=parent.ui.pdf_r_range_max, value=pdf_r_range["max"]) self._set_text_value(ui=parent.ui.pdf_r_range_delta, value=pdf_r_range["delta"]) - self._set_text_value(ui=parent.ui.pdf_reduction_configuration_file, value=pdf_reduction_configuration_file) self._set_text_value(ui=parent.ui.pdf_characterization_file, value=pdf_characterization_file) # Bragg @@ -471,8 +471,6 @@ def __init__(self, parent=None, grand_parent=None): pdf_r_range_max = self._get_text_value(parent.ui.pdf_r_range_max) pdf_r_range_delta = self._get_text_value(parent.ui.pdf_r_range_delta) - pdf_reduction_configuration_file = self._get_text_value(parent.ui.pdf_reduction_configuration_file) - bragg_characterization_file = self._get_text_value(parent.ui.bragg_characterization_file) bragg_number_of_bins = self._get_text_value(parent.ui.bragg_number_of_bins) bragg_wavelength_min = self._get_text_value(parent.ui.bragg_wavelength_min) @@ -494,8 +492,6 @@ def __init__(self, parent=None, grand_parent=None): pdf_r_range_max = '40.0' pdf_r_range_delta = '0.02' - pdf_reduction_configuration_file = '' - bragg_characterization_file = '' bragg_number_of_bins = '-6000' bragg_wavelength_min = '0.1' @@ -514,7 +510,6 @@ def __init__(self, parent=None, grand_parent=None): 'max': pdf_r_range_max, 'delta': pdf_r_range_delta} - pdf_reduction_configuration['reduction_configuration_file'] = pdf_reduction_configuration_file reduction_configuration['pdf'] = pdf_reduction_configuration bragg_reduction_configuration["characterization_file"] = bragg_characterization_file diff --git a/addie/processing/mantid/master_table/self_scattering_handler.py b/addie/processing/mantid/master_table/self_scattering_handler.py old mode 100644 new mode 100755 diff --git a/addie/processing/mantid/master_table/table_row_handler.py b/addie/processing/mantid/master_table/table_row_handler.py old mode 100644 new mode 100755 index 45c5834a..32e6fa98 --- a/addie/processing/mantid/master_table/table_row_handler.py +++ b/addie/processing/mantid/master_table/table_row_handler.py @@ -75,7 +75,7 @@ def update_ui(ui=None, new_list=[]): # mult. scat. correction mult_scat_correction_ui = self.main_window.master_table_list_ui[key][data_type]['mult_scat_correction'] - list_mult_scat_correction = self.get_multi_scat_correction_list(shape=shape_index,section='Sample') + list_mult_scat_correction = self.get_multi_scat_correction_list(shape=shape_index) update_ui(ui=mult_scat_correction_ui, new_list=list_mult_scat_correction) _enabled_radius_1 = True @@ -83,8 +83,21 @@ def update_ui(ui=None, new_list=[]): _enabled_height = True _label_radius_1 = 'Radius' _label_radius_2 = 'Outer Radius' - if shape_index == 0: # cylinder + cylinder_sam = [0, 3, 4, 5, 6, 7] + if shape_index in cylinder_sam: # cylinder _enabled_radius_2 = False + if shape_index == 3: + sam_radius_val = "0.135" + elif shape_index == 4: + sam_radius_val = "0.295" + elif shape_index == 5: + sam_radius_val = "0.385" + elif shape_index == 6: + sam_radius_val = "0.460" + elif shape_index == 7: + sam_radius_val = "0.14" + else: + sam_radius_val = "N/A" elif shape_index == 1: # sphere _enabled_height = False _enabled_radius_2 = False @@ -92,6 +105,8 @@ def update_ui(ui=None, new_list=[]): _label_radius_1 = 'Inner Radius' self.main_window.master_table_list_ui[key][data_type]['geometry']['radius']['value'].setVisible(_enabled_radius_1) + if shape_index in cylinder_sam: # cylinder + self.main_window.master_table_list_ui[key][data_type]['geometry']['radius']['value'].setText(sam_radius_val) self.main_window.master_table_list_ui[key][data_type]['geometry']['radius2']['value'].setVisible(_enabled_radius_2) self.main_window.master_table_list_ui[key][data_type]['geometry']['height']['value'].setVisible(_enabled_height) @@ -137,10 +152,6 @@ def inelastic_correction_changed(self, value=None, key=None, data_type='sample') sample_norm_column=INDEX_OF_INELASTIC_CORRECTION) self.main_window.check_master_table_column_highlighting(column=column) - # inelastic_correction = info['inelastic_correction'].currentText() - # if inelastic_correction not in ["None", None]: - # PlaczekHandler(parent=self.main_window, key=key, data_type=data_type) - def multi_scattering_correction(self, value='', key=None, data_type='sample'): # change state of other widgets of the same column if they are selected self.transfer_widget_states(from_key=key, data_type=data_type) @@ -390,6 +401,11 @@ def insert_row(self, row=-1, _widget.addItem("Cylinder") _widget.addItem("Sphere") _widget.addItem("Hollow Cylinder") + _widget.addItem("PAC03") + _widget.addItem("PAC06") + _widget.addItem("PAC08") + _widget.addItem("PAC10") + _widget.addItem("QuartzTube03") _master_table_row_ui['sample']['shape'] = _widget _layout.addWidget(_widget) _w = QWidget() @@ -948,14 +964,16 @@ def unlock_signals_ui(self, list_ui=[]): _ui.blockSignals(False) def get_multi_scat_correction_list(self, shape=0): - if shape == 0: # cylinder + cylinder_sam = [0, 3, 4, 5, 6, 7] + if shape in cylinder_sam: # cylinder return ['None', - 'Carpenter', - 'Mayers'] + 'SampleOnly'] elif shape == 1: # sphere - return ['None'] + return ['None', + 'SampleOnly'] elif shape == 2: # hollow cylinder - return ['None'] + return ['None', + 'SampleOnly'] return ['None'] @@ -965,20 +983,19 @@ def get_inelastic_scattering_list(self, shape='Cylinder'): ] def get_absorption_correction_list(self, shape=0,type='Sample'): - if shape == 0 and type == 'Sample': # cylinder, Sample - return ['None', - 'SampleOnly', - 'SampleAndContainer', - 'FullPaalmanPings', - ] - elif shape == 0 and type == 'Normalization': #cylinder, normalization - return ['None', - 'SampleOnly', - 'SampleAndContainer'] + cylinder_sam = [0, 3, 4, 5, 6, 7] + if shape in cylinder_sam: # cylinder + if type == 'Sample': # Sample + return ['None', + 'SampleOnly', + 'SampleAndContainer', + 'FullPaalmanPings'] + else: # normalization + return ['None', + 'SampleOnly'] elif shape == 1: # sphere return ['None', - 'Monte Carlo', - ] + 'Monte Carlo'] elif shape== 2: # hollow cylinder return ['None', 'Monte Carlo'] diff --git a/addie/ui/make_calibration.ui b/addie/ui/make_calibration.ui index 8b12dd85..7b9360b9 100644 --- a/addie/ui/make_calibration.ui +++ b/addie/ui/make_calibration.ui @@ -190,11 +190,6 @@ Calibration - - - Vanadium - - Date diff --git a/addie/ui/reduction_configuration_dialog.ui b/addie/ui/reduction_configuration_dialog.ui index f6b5b9ce..c82fff3f 100644 --- a/addie/ui/reduction_configuration_dialog.ui +++ b/addie/ui/reduction_configuration_dialog.ui @@ -1017,48 +1017,6 @@ p, li { white-space: pre-wrap; } - - - - Reduction Config. File - - - - - - - - - 50 - 0 - - - - - 50 - 16777215 - - - - Name: - - - - - - - - - - .json - - - - - - - -