AUTOMATION PARAMETERS: simple/smart rotation panel added

gui/src/aaregui/panels/data_collection_settings.py

@@ -16,6 +16,7 @@ from aaredaqlib.sample_geometry import SampleGeometryModel
 from aaregui.panels.file_path_panel import FilePathPanel
 from aaregui.panels.raster_data_collection import RasterDataCollectionPanel
 from aaregui.panels.rotation_data_collection import RotationDataCollectionPanel
+from aaregui.panels.smart_rotation_panel import SimpleRotationSettingsPanel
 from aaregui.scan_logic.raster_grid_manager import RasterGridManager
 from aaregui.widgets.title_label import TitleLabel
 
@@ -45,8 +46,11 @@ class DataCollectionSettings(QFrame):
 
         self.screening = RotationDataCollectionPanel(parent=self, diffraction=diffraction)
         self.__tab_widget.addTab(self.screening, "Rotation")
-        v_layout.addWidget(self.__tab_widget)
 
+        self.simple = SimpleRotationSettingsPanel(parent=self)
+        self.__tab_widget.addTab(self.simple, "Simple")
+
+        v_layout.addWidget(self.__tab_widget)
         v_layout.addStretch()
 
         abort_button = QPushButton("Abort measurement", parent=self)
@@ -72,6 +76,7 @@ class DataCollectionSettings(QFrame):
     def update_daq_status(self, s: DAQStatusModel):
         self.raster.update_daq_status(s)
         self.screening.update_daq_status(s)
+        self.simple.update_daq_status(s)
         if s.sample is not None and s.sample.db_id != self.__sample_id:
             self.__sample_id = s.sample.db_id
             self.__tab_widget.setCurrentIndex(0)

gui/src/aaregui/panels/smart_rotation_panel.py

@@ -0,0 +1,108 @@
+from PySide6.QtCore import Slot, Qt
+from PySide6.QtWidgets import QWidget, QGridLayout, QLabel, QFrame, QPushButton
+
+from aaredaqlib.models import DAQStatusModel
+from aaregui.widgets.number_line_edit import NumberLineEdit
+
+
+class SimpleRotationSettingsPanel(QWidget):
+
+    def __init__(self, parent=None):
+        super().__init__(parent)
+        self.__d = None
+
+        self._layout = QGridLayout(self)
+        self._layout.setContentsMargins(4, 4, 4, 4)
+        self._layout.setHorizontalSpacing(6)
+        self._layout.setVerticalSpacing(4)
+        # Visible resolution (entry)
+        self._layout.addWidget(QLabel("Visible resolution", parent=self), 0, 0)
+        self.visible_res_enter = NumberLineEdit(
+            0.8, 10.0, decimals=2, default=2.0, parent=self
+        )
+        self._layout.addWidget(self.visible_res_enter, 0, 1, 1, 3)
+        self._layout.addWidget(QLabel("Å", parent=self), 0, 4)
+        self.visible_res_enter.newValue.connect(self.set_visible_resolution)
+
+        # Angular range (entry)
+        self._layout.addWidget(QLabel("Total angle", parent=self), 1, 0)
+        self.angular_range_enter = NumberLineEdit(
+            5.0, 1000.0, decimals=3, default=210.0, parent=self
+        )
+        self._layout.addWidget(self.angular_range_enter, 1, 1, 1, 3)
+        self._layout.addWidget(QLabel("°", parent=self), 1, 4)
+        self.visible_res_enter.newValue.connect(self.set_visible_resolution)
+
+        # Calculated labels
+        self._layout.addWidget(QLabel("Target resolution", parent=self), 2, 0)
+        self.target_res_label = QLabel("--", parent=self)
+        self.target_res_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
+        self._layout.addWidget(self.target_res_label, 2, 1, 1, 3)
+        self._layout.addWidget(QLabel("Å", parent=self), 2, 4)
+
+        self._layout.addWidget(QLabel("Image angle", parent=self), 3, 0)
+        self.image_angle_label = QLabel("--", parent=self)
+        self.image_angle_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
+        self._layout.addWidget(self.image_angle_label, 3, 1, 1, 3)
+        self._layout.addWidget(QLabel("°", parent=self), 3, 4)
+
+        self._layout.addWidget(QLabel("Image time", parent=self), 4, 0)
+        self.image_time_label = QLabel("--", parent=self)
+        self.image_time_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
+        self._layout.addWidget(self.image_time_label, 4, 1, 1, 3)
+        self._layout.addWidget(QLabel("s", parent=self), 4, 4)
+
+        self._layout.addWidget(QLabel("Transmission", parent=self), 5, 0)
+        self.transmission_label = QLabel("--", parent=self)
+        self.transmission_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
+        self._layout.addWidget(self.transmission_label, 5, 1, 1, 3)
+
+        self._layout.addWidget(QLabel("Detector distance", parent=self), 6, 0)
+        self.dtz_label = QLabel(f"--", parent=self)
+        self.dtz_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
+        self._layout.addWidget(self.dtz_label, 6, 1, 1, 3)
+        self._layout.addWidget(QLabel("mm", parent=self), 6, 4)
+
+        # Run rotation button
+        self.run_rotation_button = QPushButton("Run rotation", parent=self)
+        self.run_rotation_button.setStyleSheet("color: rgb(78, 154, 6);")
+        self._layout.addWidget(self.run_rotation_button, 7, 0, 1, 6)
+    @Slot(DAQStatusModel)
+    def update_daq_status(self, s: DAQStatusModel):
+        self.__d = s
+        self.update_calculated_labels()
+
+    @Slot(float)
+    def set_visible_resolution(self, v: float):
+        self.update_calculated_labels()
+
+
+    def update_calculated_labels(self):
+        if self.__d is None:
+            return
+        flux = 2.5e11
+
+        total_angle = self.angular_range_enter.value
+        d_vis = self.visible_res_enter.value
+        d_tar = 1/(1/d_vis + 0.1)
+        self.target_res_label.setText(f"{d_tar}")
+
+        Kdose = 2000 / (self.__d.diffraction.wavelength_angstrom**2)
+        dose_rate_MGy_s = (flux / (self.__d.geom.beam_size_mm.x * 1000 * self.__d.geom.beam_size_mm.y * 1000 * Kdose)) / 1e6
+        target_dose_MGy = 10 * d_tar / 2.0
+        total_time_s = target_dose_MGy / dose_rate_MGy_s
+        image_angle = 0.2
+        self.image_angle_label.setText(f"{image_angle:.3f}")
+        nimages = total_angle / image_angle
+        image_time_s = total_time_s / nimages
+        if image_time_s < 0.01:
+            transmission = image_time_s / 0.01
+            image_time_s = 0.01
+        else:
+            transmission = 1.0
+
+        dtz = self.__d.diffraction.calc_dtz_mm(d_tar)
+
+        self.transmission_label.setText(f"{transmission * 100:.1f}%")
+        self.image_time_label.setText(f"{image_time_s:.4f}")
+        self.dtz_label.setText(f"{dtz:.2f}")