Merge branch 'daq_raster_predicition'
# Conflicts: # daq/src/aaredaq/daq.py # gui/src/aaregui/panels/rotation_data_collection.py
This commit is contained in:
leonarski_f committed
commit
0243d5c8b9
11 files changed
+468
-404
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@@ -68,8 +68,8 @@ class MainWindow(QMainWindow):
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beam_center_pxl=(750, 750),
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detector_description="PILATUS 4",
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detector_serial_number="1",
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poni_rot1_rad=0,
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poni_rot2_rad=0
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poni_rot1_rad=-0.001396263,
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poni_rot2_rad=-0.003839724
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)
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geom = SampleGeometryModel(beam_location_pxl=Coordinate(x=1000,y=1000),
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@@ -251,6 +251,7 @@ class MainWindow(QMainWindow):
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self.raster.grid_scan_auto.connect(self.daq.raster_scan_auto)
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self.data_collection.screening.rotation_scan.connect(self.daq.standard_scan)
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self.data_collection.simple.rotation_scan.connect(self.daq.standard_scan)
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self.data_collection.simple.parameters_changed.connect(self.daq.smart_params)
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self.raster.grid_scan_size_changed.connect(self.data_collection.raster.grid_scan_size_change)
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self.status_bar.set_pgroup.connect(self.daq.set_pgroup)
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@@ -123,7 +123,7 @@ class RotationDataCollectionPanel(ScanSettingsPanel):
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@Slot()
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def run_measurement(self):
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r = RotationScanRequest(
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file_prefix=str(add_data_to_path(self._filename)), #self._filename,
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file_prefix=str(add_data_to_path(self._filename)),
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start_omega_deg=self.start_angle.value,
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steps=self.image_number(),
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incr_omega_deg=self.image_angle.value,
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@@ -3,19 +3,22 @@ import math
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from PySide6.QtCore import Slot, Qt, Signal
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from PySide6.QtWidgets import QWidget, QGridLayout, QLabel, QFrame, QPushButton, QSpacerItem, QSizePolicy
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from aaredaqlib.models import DAQStatusModel
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from aaredaqlib.models import DAQStatusModel, SimpleScanParameters
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from aaredaqlib.rotation_scan import RotationScanRequest
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from aaregui.panels.rotation_data_collection import add_data_to_path
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from aaregui.widgets.number_line_edit import NumberLineEdit
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class SimpleRotationSettingsPanel(QWidget):
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rotation_scan = Signal(RotationScanRequest)
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viewer_track_online = Signal()
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parameters_changed = Signal(SimpleScanParameters)
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def __init__(self, parent=None):
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super().__init__(parent)
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self.n_images = 1
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self.xtal_size_dose_rate_MGy_s = None
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self.xtal_x = None
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self.xtal_y = None
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@@ -24,14 +27,12 @@ class SimpleRotationSettingsPanel(QWidget):
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self.dose_rate_MGy_s = None
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self._filename = ""
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self.dtz = 120
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self.n_images = None
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self.transmission = 1.0
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self.image_time_s = None
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self.image_angle = 0.2
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self.image_time_s = 0.1
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self.__d = None
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self._temperature = 100
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self.__omega = 0
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self._wilson_b = 0
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self._wilson_b = None
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self.parameters = SimpleScanParameters()
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self._layout = QGridLayout(self)
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@@ -44,73 +45,75 @@ class SimpleRotationSettingsPanel(QWidget):
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self._layout.addWidget(QLabel("Å", parent=self), 0, 4)
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self.visible_res_enter.newValue.connect(self.set_visible_resolution)
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# Angular range (entry)
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self._layout.addWidget(QLabel("Total angle", parent=self), 1, 0)
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self.angular_range_enter = NumberLineEdit(
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5.0, 1000.0, decimals=3, default=210.0, parent=self
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)
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self._layout.addWidget(self.angular_range_enter, 1, 1, 1, 3)
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self._layout.addWidget(QLabel("Start angle", parent=self), 1, 0)
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self.start_angle_enter = NumberLineEdit(-720, 720.0, 0.0, decimals=3, parent=self)
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self._layout.addWidget(self.start_angle_enter, 1, 1, 1, 3)
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self._layout.addWidget(QLabel("°", parent=self), 1, 4)
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self.visible_res_enter.newValue.connect(self.set_visible_resolution)
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# Calculated labels
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self._layout.addWidget(QLabel("Target resolution", parent=self), 2, 0)
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self.target_res_label = QLabel("--", parent=self)
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self.target_res_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.target_res_label, 2, 1, 1, 3)
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self._layout.addWidget(QLabel("Å", parent=self), 2, 4)
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self._layout.addWidget(QLabel("Image angle", parent=self), 3, 0)
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self.image_angle_label = QLabel("--", parent=self)
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self.image_angle_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.image_angle_label, 3, 1, 1, 3)
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self._layout.addWidget(QLabel("°", parent=self), 3, 4)
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self._layout.addWidget(QLabel("Image time", parent=self), 4, 0)
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self.image_time_label = QLabel("--", parent=self)
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self.image_time_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.image_time_label, 4, 1, 1, 3)
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self._layout.addWidget(QLabel("s", parent=self), 4, 4)
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self._layout.addWidget(QLabel("Transmission", parent=self), 5, 0)
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self.transmission_label = QLabel("--", parent=self)
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self.transmission_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.transmission_label, 5, 1, 1, 3)
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self._layout.addWidget(QLabel("%", parent=self), 5, 4)
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self._layout.addWidget(QLabel("Detector distance", parent=self), 6, 0)
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self.dtz_label = QLabel(f"--", parent=self)
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self.dtz_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.dtz_label, 6, 1, 1, 3)
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self._layout.addWidget(QLabel("mm", parent=self), 6, 4)
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self._layout.addWidget(QLabel("Target Dose", parent=self), 7, 0)
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self.target_dose_label = QLabel(f"--", parent=self)
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self.target_dose_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.target_dose_label, 7, 1, 1, 3)
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self._layout.addWidget(QLabel("MGy", parent=self), 7, 4)
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self._layout.addWidget(QLabel("Calculated Dose Rate", parent=self), 8, 0)
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self.calculated_dose_rate_label = QLabel(f"--", parent=self)
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self.calculated_dose_rate_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.calculated_dose_rate_label, 8, 1, 1, 3)
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self._layout.addWidget(QLabel("MGy S^-1", parent=self), 8, 4)
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self._layout.addWidget(QLabel("Temperature", parent=self), 9, 0)
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self.temp_enter = NumberLineEdit(80, 330, decimals=2, default=100.0, parent=self)
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self._layout.addWidget(self.temp_enter, 9, 1, 1, 3)
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self._layout.addWidget(QLabel("K", parent=self), 9, 4)
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self.temp_enter.newValue.connect(self.set_temperature)
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self._layout.addWidget(QLabel("Start angle", parent=self), 10, 0)
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self.start_angle = NumberLineEdit(-720, 720.0, 0.0, decimals=3, parent=self)
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self._layout.addWidget(self.start_angle, 10, 1, 1, 3)
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self._layout.addWidget(QLabel("°", parent=self), 10, 4)
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self.omega_button = QPushButton("Ω")
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self.omega_button.setFixedWidth(20)
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self.omega_button.clicked.connect(self.update_omega_start)
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self._layout.addWidget(self.omega_button, 10, 5)
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self._layout.addWidget(self.omega_button, 1, 5)
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# Angular range (entry)
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self._layout.addWidget(QLabel("Total angle", parent=self), 2, 0)
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self.angular_range_enter = NumberLineEdit(
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5.0, 1000.0, decimals=3, default=360.0, parent=self
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)
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self._layout.addWidget(self.angular_range_enter, 2, 1, 1, 3)
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self._layout.addWidget(QLabel("°", parent=self), 2, 4)
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self.visible_res_enter.newValue.connect(self.set_total_angle)
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self._layout.addWidget(QLabel("Image angle", parent=self), 3, 0)
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self.image_angle_enter = NumberLineEdit(
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0.001, 1.000, decimals=3, default=0.2, parent=self
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)
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self._layout.addWidget(self.image_angle_enter, 3, 1, 1, 3)
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self._layout.addWidget(QLabel("°", parent=self), 3, 4)
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self.image_angle_enter.newValue.connect(self.set_image_angle)
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self._layout.addWidget(QLabel("Temperature", parent=self), 4, 0)
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self.temp_enter = NumberLineEdit(80, 330, decimals=2, default=100.0, parent=self)
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self._layout.addWidget(self.temp_enter, 4, 1, 1, 3)
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self._layout.addWidget(QLabel("K", parent=self), 4, 4)
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self.temp_enter.newValue.connect(self.set_temperature)
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# Calculated labels
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self._layout.addWidget(QLabel("Target resolution", parent=self), 5, 0)
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self.target_res_label = QLabel("--", parent=self)
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self.target_res_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.target_res_label, 5, 1, 1, 3)
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self._layout.addWidget(QLabel("Å", parent=self), 5, 4)
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self._layout.addWidget(QLabel("Image time", parent=self), 6, 0)
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self.image_time_label = QLabel("--", parent=self)
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self.image_time_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.image_time_label, 6, 1, 1, 3)
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self._layout.addWidget(QLabel("s", parent=self), 6, 4)
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self._layout.addWidget(QLabel("Transmission", parent=self), 7, 0)
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self.transmission_label = QLabel("--", parent=self)
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self.transmission_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.transmission_label, 7, 1, 1, 3)
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self._layout.addWidget(QLabel("%", parent=self), 7, 4)
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self._layout.addWidget(QLabel("Detector distance", parent=self), 8, 0)
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self.dtz_label = QLabel(f"--", parent=self)
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self.dtz_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.dtz_label, 8, 1, 1, 3)
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self._layout.addWidget(QLabel("mm", parent=self), 8, 4)
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self._layout.addWidget(QLabel("Target Dose", parent=self), 9, 0)
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self.target_dose_label = QLabel(f"--", parent=self)
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self.target_dose_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.target_dose_label, 9, 1, 1, 3)
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self._layout.addWidget(QLabel("MGy", parent=self), 9, 4)
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self._layout.addWidget(QLabel("Calculated Dose Rate", parent=self), 10, 0)
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self.calculated_dose_rate_label = QLabel(f"--", parent=self)
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self.calculated_dose_rate_label.setAlignment(Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter)
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self._layout.addWidget(self.calculated_dose_rate_label, 10, 1, 1, 3)
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self._layout.addWidget(QLabel("MGy S^-1", parent=self), 10, 4)
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self._layout.addWidget(QLabel("Wilson B Factor", parent=self), 11, 0)
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self.wilson_b_label = QLabel(f"--", parent=self)
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@@ -178,7 +181,11 @@ class SimpleRotationSettingsPanel(QWidget):
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@Slot(DAQStatusModel)
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def update_daq_status(self, s: DAQStatusModel):
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self.__d = s
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#TODO only update best_res after raster finished otherwise ask to update. or have toggle to overwrite with user value
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#TODO only take best res from flat face scan
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#TODO identify flat face!!!!
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best_res = s.last_best_res
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self.__omega = s.geom.omega_deg
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if best_res is not None:
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# clamp to control limits and update field; this will also trigger recalculation
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@@ -187,10 +194,10 @@ class SimpleRotationSettingsPanel(QWidget):
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self.visible_res_enter.update_value(v)
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self.set_visible_resolution(v)
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best_b_factor = s.last_best_b_factor
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self._wilson_b = s.last_best_b_factor
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if best_b_factor is not None:
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self.wilson_b_label.setText(f"{best_b_factor:.2f}")
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if self._wilson_b is not None:
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self.wilson_b_label.setText(f"{self._wilson_b:.2f}")
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xtal_size = s.crystal_size
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if xtal_size is not None:
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@@ -211,12 +218,21 @@ class SimpleRotationSettingsPanel(QWidget):
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self.wavelength_label.setText("<b>N/A</b>")
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else:
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self.wavelength_label.setText(f"<b>{s.diffraction.wavelength_angstrom:.3f}</b>")
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self.update_calculated_labels()
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@Slot(float)
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def set_visible_resolution(self, v: float):
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self.update_calculated_labels()
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@Slot(float)
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def set_total_angle(self, v: float):
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self.update_calculated_labels()
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@Slot(float)
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def set_image_angle(self, v: float):
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self.update_calculated_labels()
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@Slot(float)
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def set_temperature(self, v: float):
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self.update_calculated_labels()
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@@ -227,7 +243,7 @@ class SimpleRotationSettingsPanel(QWidget):
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@Slot()
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def update_omega_start(self):
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self.start_angle.update_value(self.__omega)
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self.start_angle_enter.update_value(self.__omega)
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def update_calculated_labels(self):
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if self.__d is None:
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@@ -238,9 +254,12 @@ class SimpleRotationSettingsPanel(QWidget):
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#TODO read resolution estiamtion from jfjoch
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total_angle = self.angular_range_enter.value
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d_vis = self.visible_res_enter.value
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image_angle = self.image_angle_enter.value
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if d_vis == 0.0:
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d_vis = 1.3
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d_tar = 1/(1/d_vis + 0.1)
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self.target_res_label.setText(f"{d_tar:.2f}")
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#self.wilson_b_label.setText("--")
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Kdose = 2000 / (self.__d.diffraction.wavelength_angstrom**2)
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@@ -271,10 +290,9 @@ class SimpleRotationSettingsPanel(QWidget):
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total_time_s = self.target_dose_MGy / self.dose_rate_MGy_s
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self.calculated_dose_label.setText(f"{self.xtal_size_dose_rate_MGy_s*total_time_s:.2f}")
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self.image_angle = 0.2
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self.image_angle_label.setText(f"{self.image_angle:.3f}")
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self.n_images = total_angle / self.image_angle
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if image_angle == 0.0:
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image_angle = 0.001
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self.n_images = round(total_angle / image_angle)
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self.image_time_s = total_time_s / self.n_images
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if self.image_time_s < 0.01:
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self.transmission = self.image_time_s / 0.01
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@@ -295,13 +313,23 @@ class SimpleRotationSettingsPanel(QWidget):
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else:
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self.dtz_label.setText(f"{self.dtz:.2f}")
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self.parameters = SimpleScanParameters(
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dtz=int(round(self.dtz)),
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exp_time_s=self.image_time_s,
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start_omega_deg=self.start_angle_enter.value,
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incr_omega_deg=image_angle,
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steps=self.n_images,
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transmission=self.transmission
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)
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self.parameters_changed.emit(self.parameters)
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@Slot()
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def run_measurement(self):
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r = RotationScanRequest(
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file_prefix=self._filename,
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start_omega_deg=0,#,self.start_angle.value,
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file_prefix=str(add_data_to_path(self._filename)),
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start_omega_deg=self.start_angle_enter.value,
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steps=self.n_images,
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incr_omega_deg=self.image_angle,
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incr_omega_deg=self.image_angle_enter.value,
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dtz=self.dtz,
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transmission=self.transmission,
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screening=False,
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@@ -7,7 +7,7 @@ from jfjoch_client import ScanResult, ScanResultImagesInner
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from aaredaqlib.coordinate import SmargonCoordinate, Coordinate
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from aaredaqlib.models import DAQStatusModel, SampleShortInfoList, SampleShortInfo, SampleCameraSettings, \
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AutofocusSettings
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AutofocusSettings, SimpleScanParameters
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from aaredaqlib.raster_grid import RasterGridRequest, CompletedRasterGrid
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from aaredaqlib.rotation_scan import RotationScanRequest, CompletedRotationScan
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@@ -351,6 +351,13 @@ class DAQWorker(QObject):
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reply = self.__net_manager.post(request, QByteArray(body.encode("utf-8")))
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reply.finished.connect(lambda: self.handle_auto_scan_response(reply, s.db_id))
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@Slot(SimpleScanParameters)
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def smart_params(self, p: SimpleScanParameters):
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if self.__base_url is None:
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print(f"POST /scan/smart_params: {p.model_dump_json()}")
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return
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self.generic_post("scan/smart_params", p.model_dump_json())
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@Slot(Coordinate)
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def abr_tweak(self, c: Coordinate):
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self.generic_post("beamline/tweak_abr_meas_pos", c.model_dump_json())
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