Add option for const Q binning per run (#134)

* add new table column 'Const. Q Bin.'
* change ReductionTableColumnIndex base class to IntEnum
* pass const Q binning option to lr_reduction
* add unit test for ReductionTableHandler
* saving and loading of parameter const_q
* update stored configuration state upon checkbox state changed
* update codecov-action version
* add unit test for ConstQCheckBoxHandler
* add ReductionTableHandler unit testing
* add release note

.github/workflows/test-and-deploy.yml

@@ -32,7 +32,7 @@ jobs:
       - name: Run Tests
         run: xvfb-run -a python -m pytest -vv --cov=RefRed --cov-report=xml --cov-report=term test
       - name: Upload coverage to Codecov
-        uses: codecov/codecov-action@v4
+        uses: codecov/codecov-action@v5
         with:
           token: ${{ secrets.CODECOV_TOKEN }} # required
 

RefRed/autopopulatemaintable/populate_reduction_table_from_list_lrdata.py

@@ -4,7 +4,8 @@
 import numpy as np
 
 # application imports
-from RefRed.interfaces.mytablewidget import ReductionTableColumIndex
+from RefRed.interfaces.mytablewidget import ReductionTableColumnIndex
+from RefRed.reduction_table_handling.reduction_table_handler import ReductionTableHandler
 from RefRed.tabledata import TableData
 
 
@@ -36,11 +37,12 @@ def __init__(self, parent=None, list_lrdata=None, list_wks=None, list_run=None,
         self.big_table_data: TableData = self.parent.big_table_data
 
         self.reductionTable_col = (
-            int(ReductionTableColumIndex.DATA_RUN) if self.is_data else int(ReductionTableColumIndex.NORM_RUN)
+            ReductionTableColumnIndex.DATA_RUN if self.is_data else ReductionTableColumnIndex.NORM_RUN
         )
 
         if is_data:
-            self.clear_reductionTable()
+            o_reduction_table_handler = ReductionTableHandler(parent=self.parent)
+            o_reduction_table_handler.clear_reduction_table()
 
         self.insert_runs_into_table()
 
@@ -123,12 +125,5 @@ def insert_data_runs_into_table(self):
                 str_run = str(_run)
             self.parent.ui.reductionTable.item(_index, self.reductionTable_col).setText(str_run)
 
-    def clear_reductionTable(self):
-        nbr_row = self.parent.ui.reductionTable.rowCount()
-        nbr_col = self.parent.ui.reductionTable.columnCount()
-        for _row in range(nbr_row):
-            for _col in range(1, nbr_col):
-                self.parent.ui.reductionTable.item(_row, _col).setText("")
-
     def clear_big_table_data(self):
         self.big_table_data = TableData(self.parent.REDUCTIONTABLE_MAX_ROWCOUNT)

RefRed/calculations/lr_data.py

@@ -189,6 +189,8 @@ def __init__(
         self.back_flag: bool = True
         self.two_backgrounds: bool = False
 
+        self.const_q: bool = False  # reduction using constant Q binning
+
         self.all_plot_axis = AllPlotAxis()
         self.tof_auto_flag = True
         self.new_detector_geometry_flag = self.is_nexus_taken_after_refDate()
@@ -207,6 +209,7 @@ def __init__(
                 self.low_res_flag = bool(lconfig.data_low_res_flag)
                 self.back_flag = bool(lconfig.data_back_flag)
                 self.two_backgrounds = bool(lconfig.data_two_backgrounds)
+                self.const_q = bool(lconfig.const_q)
             else:
                 self.peak = [int(lconfig.norm_peak[0]), int(lconfig.norm_peak[1])]
                 self.back = [int(lconfig.norm_back[0]), int(lconfig.norm_back[1])]
@@ -215,6 +218,7 @@ def __init__(
                 self.low_res_flag = bool(lconfig.norm_low_res_flag)
                 self.back_flag = bool(lconfig.norm_back_flag)
                 self.two_backgrounds = bool(lconfig.norm_two_backgrounds)
+                self.const_q = bool(lconfig.const_q)
 
         elif reduction_table_cell is not None:
             self.tof_auto_flag = reduction_table_cell.tof_auto_flag
@@ -228,6 +232,7 @@ def __init__(
             self.low_res_flag = reduction_table_cell.low_res_flag
             self.back_flag = reduction_table_cell.back_flag
             self.two_backgrounds = reduction_table_cell.two_backgrounds
+            self.const_q = reduction_table_cell.const_q
 
         else:
             pf = PeakFinderDerivation(list(range(len(self.ycountsdata))), self.ycountsdata)

RefRed/calculations/update_reduction_table_metadata.py

@@ -1,4 +1,5 @@
-from qtpy import QtWidgets, QtCore
+from RefRed.interfaces.mytablewidget import ReductionTableColumnIndex
+from RefRed.reduction_table_handling.reduction_table_handler import ReductionTableHandler
 
 
 class UpdateReductionTableMetadata(object):
@@ -18,36 +19,18 @@ def update(self):
         q_range = lrdata.q_range
         lambda_range = lrdata.lambda_range
         incident_angle = lrdata.incident_angle
+        const_q = lrdata.const_q
 
         [qmin, qmax] = q_range
         str_qmin = "%.4f" % qmin
-        _item_min = QtWidgets.QTableWidgetItem(str_qmin)
-        _item_min.setFlags(QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled)
         str_qmax = "%.4f" % qmax
-        _item_max = QtWidgets.QTableWidgetItem(str_qmax)
-        _item_max.setFlags(QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled)
-
         [lmin, lmax] = lambda_range
-        _item_lmin = QtWidgets.QTableWidgetItem(str(lmin))
-        _item_lmin.setFlags(QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled)
-        _item_lmax = QtWidgets.QTableWidgetItem(str(lmax))
-        _item_lmax.setFlags(QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled)
-
-        incident_angle = incident_angle
         str_incident_angle = "%.2f" % incident_angle
-        _item_incident = QtWidgets.QTableWidgetItem(str_incident_angle)
-        _item_incident.setFlags(QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled)
-
-        parent.ui.reductionTable.setItem(row, 6, _item_min)
-        parent.ui.reductionTable.setItem(row, 7, _item_max)
-        parent.ui.reductionTable.setItem(row, 4, _item_lmin)
-        parent.ui.reductionTable.setItem(row, 5, _item_lmax)
-        parent.ui.reductionTable.setItem(row, 3, _item_incident)
-
-    def sortIntArray(self, _array):
-        [_element1, _element2] = _array
-        _element1 = int(_element1)
-        _element2 = int(_element2)
-        _element_min = min([_element1, _element2])
-        _element_max = max([_element1, _element2])
-        return [_element_min, _element_max]
+
+        handler = ReductionTableHandler(parent)
+        handler.set_table_item_text(row, ReductionTableColumnIndex.Q_MIN, str_qmin)
+        handler.set_table_item_text(row, ReductionTableColumnIndex.Q_MAX, str_qmax)
+        handler.set_table_item_text(row, ReductionTableColumnIndex.LAMBDA_MIN, str(lmin))
+        handler.set_table_item_text(row, ReductionTableColumnIndex.LAMBDA_MAX, str(lmax))
+        handler.set_table_item_text(row, ReductionTableColumnIndex.TWO_THETA, str_incident_angle)
+        handler.set_checkbox_state(row, ReductionTableColumnIndex.CONST_Q_BINS, const_q)

RefRed/configuration/export_xml_config.py

@@ -61,6 +61,7 @@ def main_part(self):
             q_range = _data.q_range
             lambda_range = _data.lambda_range
             incident_angle = _data.incident_angle
+            const_q = _data.const_q
 
             _norm: Optional[LRData] = _big_table_data[row, 1]
             if _norm is not None:
@@ -176,6 +177,8 @@ def main_part(self):
 
             str_array.append(o_general_settings.dead_time.to_xml(indent="   ") + "\n")  # dead time settings
 
+            str_array.append('   <const_q>' + str(const_q) + '</const_q>\n')
+
             str_array.append('  </RefLData>\n')
 
         str_array.append('  </DataSeries>\n')

RefRed/configuration/load_reduction_table_from_lconfigdataset.py

@@ -122,6 +122,7 @@ def update_lrdata(self, lrdata=None, lconfig=None, type='data', row=0):
 
         tof_auto_flag = lconfig.tof_auto_flag
         tof_range = lconfig.tof_range
+        const_q = lconfig.const_q
 
         # using lconfig values
         lrdata.peak = [peak1, peak2]
@@ -134,6 +135,7 @@ def update_lrdata(self, lrdata=None, lconfig=None, type='data', row=0):
         lrdata.tof_range = tof_range
         lrdata.tof_auto_flag = tof_auto_flag
         lrdata.full_file_name = full_file_name
+        lrdata.const_q = const_q
 
         index_col = 0 if type == 'data' else 1
         reduction_table_index_col = index_col + 1

RefRed/configuration/loading_configuration.py

@@ -5,7 +5,7 @@
 from typing import Any
 
 # third party imports
-from qtpy import QtGui, QtCore, QtWidgets
+from qtpy import QtWidgets
 from qtpy.QtWidgets import QFileDialog
 
 # application imports
@@ -22,6 +22,7 @@
 )
 from RefRed.lconfigdataset import LConfigDataset
 from RefRed.plot.clear_plots import ClearPlots
+from RefRed.reduction_table_handling.reduction_table_handler import ReductionTableHandler
 from RefRed.status_message_handler import StatusMessageHandler
 from RefRed.tabledata import TableData
 from RefRed.utilities import str2bool
@@ -233,6 +234,8 @@ def get_item_boolean(item_name: str, default) -> bool:
         _lambda_max = self.getNodeValue(node, "to_lambda_range")
         iMetadata.lambda_range = [_lambda_min, _lambda_max]
 
+        iMetadata.const_q = get_item_boolean("const_q", default=False)
+
         iMetadata.tof_units = "micros"
 
         _data_sets = self.getNodeValue(node, "data_sets")
@@ -299,14 +302,8 @@ def clear_display(self):
         ClearPlots(parent=self.parent, is_data=True, is_norm=True, all_plots=True)
 
     def clear_reductionTable(self):
-        nbr_row = self.parent.ui.reductionTable.rowCount()
-        nbr_col = self.parent.ui.reductionTable.columnCount()
-        _brush_color = QtGui.QBrush()
-        _brush_color.setColor(QtCore.Qt.black)
-        for _row in range(nbr_row):
-            for _col in range(1, nbr_col):
-                self.parent.ui.reductionTable.item(_row, _col).setText("")
-                self.parent.ui.reductionTable.item(_row, _col).setForeground(_brush_color)
+        reduction_table_handler = ReductionTableHandler(parent=self.parent)
+        reduction_table_handler.clear_reduction_table()
 
     def populate_reduction_table_from_lconfigdataset(self):
         PopulateReductionTable(parent=self.parent)

RefRed/gui_handling/gui_utility.py

@@ -8,7 +8,7 @@
 
 # application imports
 from RefRed import WINDOW_TITLE
-from RefRed.interfaces.mytablewidget import ReductionTableColumIndex
+from RefRed.interfaces.mytablewidget import ReductionTableColumnIndex
 from RefRed.tabledata import TableData
 
 if TYPE_CHECKING:  # imported only when running mypy but not imported when the application is running
@@ -81,7 +81,7 @@ def get_current_table_reduction_check_box_checked(self) -> int:
         -------
         Row index, or `NULL_ACTIVE_ROW` if no row is active
         """
-        column_index = int(ReductionTableColumIndex.PLOTTED)
+        column_index = ReductionTableColumnIndex.PLOTTED
         for row_index in range(self.parent.REDUCTIONTABLE_MAX_ROWCOUNT):
             check_box: QtWidgets.QCheckBox = self.parent.ui.reductionTable.cellWidget(row_index, column_index)
             if check_box.checkState() == Qt.Checked:
@@ -116,7 +116,7 @@ def get_other_row_with_same_run_number_as_row(
 
         def get_norm_runnumber(table_row_index: int) -> str:
             r"""run number of the direct beam run stored in row `index` of the reduction table"""
-            table_column_index = int(ReductionTableColumIndex.NORM_RUN)
+            table_column_index = ReductionTableColumnIndex.NORM_RUN
             return str(self.parent.ui.reductionTable.item(table_row_index, table_column_index).text())
 
         all_rows = [row]

RefRed/initialization/gui.py

@@ -3,6 +3,7 @@
 import socket
 
 from RefRed import WINDOW_TITLE
+from RefRed.interfaces.mytablewidget import ReductionTableColumnIndex
 from RefRed.plot.all_plot_axis import AllPlotAxis
 from RefRed.gui_handling.gui_utility import GuiUtility
 from RefRed.gui_handling.update_plot_widget_status import UpdatePlotWidgetStatus
@@ -20,9 +21,10 @@ class Gui(object):
         "\u03bbmax (\u00c5)",
         "Qmin (1/\u00c5)",
         "Qmax (1/\u00c5)",
+        "Const. Q Bin.",
         "Comments",
     ]
-    column_widths = [60, 200, 200, 65, 85, 85, 95, 95, 400]
+    column_widths = [60, 200, 200, 65, 85, 85, 95, 95, 95, 300]
     stitching_column_widths = [150, 60, 60]
     gui_size_coeff = 2.0 / 3.0
 
@@ -132,7 +134,7 @@ def set_main_table(self):
 
         for row_index in range(self.parent.REDUCTIONTABLE_MAX_ROWCOUNT):
             for col_index in range(len(self.column_widths)):
-                if col_index == 0:
+                if col_index == ReductionTableColumnIndex.PLOTTED:
                     _widget = QtWidgets.QCheckBox()
                     _widget.setChecked(False)
                     _widget.setEnabled(True)
@@ -143,12 +145,36 @@ def set_main_table(self):
                     _widget.stateChanged.connect(_signal_func)
 
                     parent.ui.reductionTable.setCellWidget(row_index, col_index, _widget)
-                elif (col_index == 1) or (col_index == 2):
+                elif (col_index == ReductionTableColumnIndex.DATA_RUN) or (
+                    col_index == ReductionTableColumnIndex.NORM_RUN
+                ):
                     _item = QtWidgets.QTableWidgetItem()
                     _flags = QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled | QtCore.Qt.ItemIsEditable
                     _item.setFlags(_flags)
                     parent.ui.reductionTable.setItem(row_index, col_index, _item)
 
+                elif col_index == ReductionTableColumnIndex.CONST_Q_BINS:
+                    # Create checkbox
+                    _widget = QtWidgets.QCheckBox()
+                    _widget.setChecked(False)
+                    _widget.setEnabled(True)
+                    # connect handler to state change
+                    _widget.stateChanged.connect(
+                        lambda state=0, row=row_index: self.parent.reduction_table_const_q_handler(state, row)
+                    )
+
+                    # Create a layout to center the checkbox
+                    _layout = QtWidgets.QHBoxLayout()
+                    _layout.addWidget(_widget)
+                    _layout.setAlignment(_widget, QtCore.Qt.AlignCenter)  # Align the button to the center
+                    _layout.setContentsMargins(0, 0, 0, 0)
+
+                    # Create a QWidget to hold the layout
+                    _container = QtWidgets.QWidget()
+                    _container.setLayout(_layout)
+
+                    parent.ui.reductionTable.setCellWidget(row_index, col_index, _container)
+
                 else:
                     _item = QtWidgets.QTableWidgetItem()
                     _item.setFlags(QtCore.Qt.ItemIsSelectable | QtCore.Qt.ItemIsEnabled)

RefRed/interfaces/mytablewidget.py

@@ -1,5 +1,5 @@
 # standard imports
-from enum import Enum
+from enum import IntEnum
 
 # third party imports
 from qtpy import QtWidgets
@@ -29,7 +29,7 @@ def setUI(self, ui_parent):
         self.parent = ui_parent
 
 
-class ReductionTableColumIndex(Enum):
+class ReductionTableColumnIndex(IntEnum):
     """
     Enumeration class associating a column index to a word easy to understand what the column index is for
     """
@@ -42,7 +42,8 @@ class ReductionTableColumIndex(Enum):
     LAMBDA_MAX = 5
     Q_MIN = 6
     Q_MAX = 7
-    COMMENTS = 8
+    CONST_Q_BINS = 8
+    COMMENTS = 9
 
     def __int__(self):
         return self.value

RefRed/interfaces/refred_main_interface.ui

@@ -4553,6 +4553,11 @@
                     <string>New Column</string>
                    </property>
                   </column>
+                  <column>
+                   <property name="text">
+                    <string>New Column</string>
+                   </property>
+                  </column>
                  </widget>
                 </item>
                </layout>

RefRed/lconfigdataset.py

@@ -45,6 +45,7 @@ class LConfigDataset(object):
 
     q_range = ['0', '0']
     lambda_range = ['0', '0']
+    const_q = False
 
     reduce_q_axis = []
     reduce_y_axis = []

RefRed/main.py

@@ -38,6 +38,7 @@
 from RefRed.preview_config.preview_config import PreviewConfig
 from RefRed.reduction.live_reduction_handler import LiveReductionHandler
 from RefRed.reduction.reduced_data_handler import ReducedDataHandler
+from RefRed.reduction_table_handling.const_q_checkbox_handler import ConstQCheckBoxHandler
 from RefRed.reduction_table_handling.reduction_table_check_box import ReductionTableCheckBox
 from RefRed.reduction_table_handling.update_reduction_table import UpdateReductionTable
 from RefRed.reduction_table_handling.reduction_table_right_click import ReductionTableRightClick
@@ -233,6 +234,11 @@ def logy_toggle_data_stitching(self, checked):
     def reduction_table_visibility_changed_test(self, state, row):
         ReductionTableCheckBox(parent=self, row_selected=row)
 
+    @config_file_has_been_modified
+    def reduction_table_const_q_handler(self, state, row):
+        """Handles updating stored configuration upon change in const Q checkbox state"""
+        ConstQCheckBoxHandler(parent=self, row=row, state=state)
+
     def file_loaded(self, row, is_data_displayed, is_display_requested):
         """Event call-back used to display plots and re-enable the reduction table after loading"""
         if is_display_requested:

RefRed/reduction/individual_reduction_settings_handler.py

@@ -50,6 +50,7 @@ def retrieve(self):
 
         self._tof_range = self.get_tof_range()
         self._output_workspace_name = self.define_output_workspace_name(run_numbers=self._data_run_numbers)
+        self._const_q = self.get_const_q()
 
     def to_dict(self):
         """
@@ -77,6 +78,7 @@ def norm_setting(setting: str) -> Optional[Any]:
             norm_x_range_flag=self._norm_low_res_flag,
             norm_x_range=self._norm_low_res_range,
             tof_range=self._tof_range,
+            const_q=self._const_q,
         )
         return pars
 
@@ -200,3 +202,6 @@ def get_data_run_numbers(self):
     def get_run_numbers(self, column_index=1):
         run_numbers = self.parent.ui.reductionTable.item(self.row_index, column_index).text()
         return str(run_numbers)
+
+    def get_const_q(self):
+        return bool(self.data.const_q)