Action tab analysis loading performance update

MDANSE/Src/MDANSE/Framework/AtomSelector/selector.py

@@ -156,7 +156,7 @@ def get_idxs(self) -> set[int]:
                 if not switch:
                     continue
 
-                idxs = idxs | self._funcs[k](self.system, **args)
+                idxs.update(self._funcs[k](self.system, **args))
 
         if self.settings["invert"]:
             return self.all_idxs - idxs

MDANSE_GUI/Src/MDANSE_GUI/InputWidgets/AtomSelectionWidget.py

@@ -12,7 +12,7 @@
 # @authors   Scientific Computing Group at ILL (see AUTHORS)
 #
 # **************************************************************************
-from typing import Union
+from typing import Union, Iterator
 from itertools import count, groupby
 from qtpy.QtCore import Qt, QEvent, Slot, QObject
 from qtpy.QtGui import QStandardItem
@@ -26,7 +26,6 @@
     QHBoxLayout,
     QGroupBox,
     QLabel,
-    QApplication,
     QTextEdit,
 )
 from MDANSE.Framework.AtomSelector import Selector
@@ -111,12 +110,12 @@ def addItem(self, text: str) -> None:
         """
         item = QStandardItem()
         item.setText(text)
-        item.setFlags(Qt.ItemIsEnabled | Qt.ItemIsUserCheckable)
-        item.setData(Qt.Unchecked, Qt.CheckStateRole)
+        item.setEnabled(True)
+        item.setCheckable(True)
         self.model().appendRow(item)
         self._items.append(item)
 
-    def getItems(self) -> QStandardItem:
+    def getItems(self) -> Iterator[QStandardItem]:
         """
         Yields
         ------
@@ -240,7 +239,11 @@ def __init__(self, selector: Selector, field: QLineEdit, parent, *args, **kwargs
                 combo_layout = QHBoxLayout()
                 combo = CheckableComboBox()
                 items = [i for i in v.keys() if match_exists[k][i]]
+                # we blocksignals here as there can be some
+                # performance issues with a large number of items
+                combo.model().blockSignals(True)
                 combo.addItems(items)
+                combo.model().blockSignals(False)
                 combo.setObjectName(k)
                 combo.model().dataChanged.connect(self.update)
                 label = QLabel(self._cbox_text[k])
@@ -293,12 +296,12 @@ def update(self) -> None:
         idxs = self.selector.get_idxs()
         num_sel = len(idxs)
 
-        text = f"Number of atoms selected:\n{num_sel}\n\nSelected atoms:\n"
-        for at in self.selector.system.atom_list:
-            if at.index in idxs:
-                text += f"{at.index})  {at.full_name}\n"
+        text = [f"Number of atoms selected:\n{num_sel}\n\nSelected atoms:\n"]
+        atoms = self.selector.system.atom_list
+        for idx in idxs:
+            text.append(f"{idx})  {atoms[idx].full_name}\n")
 
-        self.right.setText(text)
+        self.right.setText("".join(text))
 
     def apply(self) -> None:
         """Set the field of the AtomSelectionWidget to the currently

MDANSE_GUI/Src/MDANSE_GUI/InputWidgets/HDFTrajectoryWidget.py

@@ -2,7 +2,7 @@
 #
 # MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
 #
-# @file      Src/PyQtGUI/InputWidgets/HDFTrajectoryWidget.py
+# @file      MDANSE_GUI/InputWidgets/HDFTrajectoryWidget.py
 # @brief     Implements module/class/test HDFTrajectoryWidget
 #
 # @homepage  https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
@@ -12,18 +12,15 @@
 # @authors   Scientific Computing Group at ILL (see AUTHORS)
 #
 # **************************************************************************
-
 import os
 
-from qtpy.QtWidgets import QLineEdit, QSpinBox, QLabel
-from qtpy.QtCore import Slot, Signal
-from qtpy.QtGui import QIntValidator
+from qtpy.QtWidgets import QLabel
 
-from MDANSE.Framework.InputData.HDFTrajectoryInputData import HDFTrajectoryInputData
 from MDANSE_GUI.InputWidgets.WidgetBase import WidgetBase
 
 
 class HDFTrajectoryWidget(WidgetBase):
+
     def __init__(self, *args, **kwargs):
         super().__init__(*args, **kwargs)
         source_object = kwargs.get("source_object", None)
@@ -32,19 +29,16 @@ def __init__(self, *args, **kwargs):
         except AttributeError:
             filename = None
         if filename is not None:
-            trajectory = HDFTrajectoryInputData(filename)
+            self._configurator.configure(filename)
             label = QLabel(filename, self._base)
             self._layout.addWidget(label)
-            self._configurator.configure(filename)
             trajectory_path, _ = os.path.split(filename)
             self.default_path = trajectory_path
         else:
             label = QLabel("No Trajectory available", self._base)
             self._layout.addWidget(label)
-        self._trajectory = trajectory
         self.default_labels()
         self.update_labels()
-        self.updateValue()
         if self._tooltip:
             tooltip_text = self._tooltip
         else:

MDANSE_GUI/Src/MDANSE_GUI/Tabs/Visualisers/Action.py

@@ -146,7 +146,6 @@ def update_panel(self, job_name: str) -> None:
             dtype = value[0]
             ddict = value[1]
             configurator = job_instance.configuration[key]
-            configurator.configure(self._input_trajectory)
             if not "label" in ddict.keys():
                 ddict["label"] = key
             ddict["configurator"] = configurator