Added functions to create rotation and gridscans runs into aaredb.py

daq/src/aaredaq/aaredb.py

@@ -11,8 +11,10 @@ from aareDBclient import (
     SetTellPosition,
     SampleEventCreate,
     SetTellPositionRequest,
+    CharacterizationParameters,
     RotationParameters,
     GridScanParameters,
+    Datasets,
     Detector as DetectorParameters,
     BeamlineParameters,
     ExperimentParametersCreate)
@@ -148,6 +150,66 @@ class AareWrapper:
                                  verify=False, headers=headers)
         print(response.status_code)
 
+    def create_characterization_run(self, s: Optional[SampleShortInfo], r:RotationScanRequest, d:DAQStatusModel):
+        if s is None:
+            return
+
+        try:
+            characterization = CharacterizationParameters(
+                omegaStart_deg=r.start_omega_deg,
+                omegaStep=r.incr_omega_deg,
+                phi=d.geom.smargon.phi_deg,
+                chi=d.geom.smargon.chi_deg,
+                numberOfImages=r.steps,
+                exposureTime_s=r.exp_time_s,
+            )
+            dataset = Datasets(
+                filepath=r.file_prefix,
+                status="written",
+                written_at=datetime.datetime.now()
+            )
+            detector_data = DetectorParameters(
+                manufacturer="DECTRIS",
+                model=d.diffraction.detector_description,
+                type="photon-counting",
+                serialNumber=d.diffraction.detector_serial_number,
+                detectorDistance_mm=r.dtz,
+                beamCenterX_px=d.diffraction.beam_center_pxl[0],
+                beamCenterY_px=d.diffraction.beam_center_pxl[1],
+                pixelSizeX_um=d.diffraction.pixel_size_mm * 1000,
+                pixelSizeY_um=d.diffraction.pixel_size_mm * 1000,
+                dataset=dataset
+            )
+            beamline_params = BeamlineParameters(
+                synchrotron="Swiss Light Source",
+                beamline=d.bl.name,
+                detector=detector_data,
+                energy_keV=d.diffraction.energy_keV,
+                wavelength_Ang=d.diffraction.wavelength_angstrom,
+                ringCurrent_mA=d.bl.ring_current_mA,
+                ringMode="Beamline Development",
+                monochromator="Si111",
+                transmission=r.transmission,
+                focusingOptic="Kirkpatrick-Baez",
+                beamlineFluxAtSample_ph_s=d.bl.flux_ph_s,
+                beamSizeWidth=d.geom.beam_size_mm.x * 100,
+                beamSizeHeight=d.geom.beam_size_mm.y * 100,
+                cryojetTemperature_K=d.bl.cryojet_K,
+                characterization=characterization,
+            )
+            experiment_params_payload = ExperimentParametersCreate(
+                type="standard",
+                beamline_parameters=beamline_params,
+                sample_id=s.db_id
+            )
+            response = self.__sample_api.create_experiment_parameters_for_sample(
+                sample_id=s.db_id,
+                experiment_parameters_create=experiment_params_payload
+            )
+            print("Experiment parameters created:", response)
+        except Exception as e:
+            print(e)
+
     def create_rotation_run(self, s: Optional[SampleShortInfo], r:RotationScanRequest, d:DAQStatusModel):
         if s is None:
             return
@@ -161,6 +223,11 @@ class AareWrapper:
                 numberOfImages=r.steps,
                 exposureTime_s=r.exp_time_s,
             )
+            dataset = Datasets(
+                filepath=r.file_prefix,
+                status="written",
+                written_at=datetime.datetime.now()
+            )
             detector_data = DetectorParameters(
                 manufacturer="DECTRIS",
                 model=d.diffraction.detector_description,
@@ -171,6 +238,7 @@ class AareWrapper:
                 beamCenterY_px=d.diffraction.beam_center_pxl[1],
                 pixelSizeX_um=d.diffraction.pixel_size_mm * 1000,
                 pixelSizeY_um=d.diffraction.pixel_size_mm * 1000,
+                dataset=dataset
             )
             beamline_params = BeamlineParameters(
                 synchrotron="Swiss Light Source",
@@ -218,6 +286,11 @@ class AareWrapper:
                 numberOfImages=r.n_x * r.n_y,
                 exposureTime_s=r.exp_time_s,
             )
+            dataset = Datasets(
+                filepath=r.file_prefix,
+                status="written",
+                written_at=datetime.datetime.now()
+            )
             detector_data = DetectorParameters(
                 manufacturer="DECTRIS",
                 model=d.diffraction.detector_description,
@@ -228,6 +301,7 @@ class AareWrapper:
                 beamCenterY_px=d.diffraction.beam_center_pxl[1],
                 pixelSizeX_um=d.diffraction.pixel_size_mm * 1000,
                 pixelSizeY_um=d.diffraction.pixel_size_mm * 1000,
+                dataset=dataset
             )
             beamline_params = BeamlineParameters(
                 synchrotron="Swiss Light Source",
@@ -257,28 +331,4 @@ class AareWrapper:
             )
             print("Experiment parameters created:", response)
         except Exception as e:
-            print(e)
-
-    def confirm_image_written(self, s: Optional[SampleShortInfo], r:RotationScanRequest):
-        if s is None:
-            return
-
-        try:
-            response = self.__sample_api.update_dataset_for_experiment_run(
-                filepath=r.file_prefix, #need to check if this is correct
-                status="written",
-                written_at=datetime.datetime.now().isoformat(),
-            )
-            print("Experiment run updated:", response)
-
-        except Exception as e:
-            print(e)
-
-    #def send_gridscan_result(self, s: Optional[SampleShortInfo], c: CompletedRasterGrid):
-    #    if s is None:
-    #        return
-    #
-    #    try:
-    #        response = self.__proc_api.create_result(
-    #
-    #        )
+            print(e)