DAQ: effort to mvoe smart_data_Collection_strategy to daq - WIP

daq/src/mxlibs3/automated_collection_strategy.py

@@ -0,0 +1,84 @@
+import math
+
+from aaredaqlib.models import SimpleScanParameters, DAQStatusModel, SimpleStrategyInputModel
+
+def get_simple_collection_parameters(status:DAQStatusModel, input_params:SimpleStrategyInputModel) -> SimpleScanParameters:
+
+    last_best_res = input_params.last_best_res
+    last_best_b_factor = input_params.last_best_b_factor
+    wavelength = status.diffraction.wavelength_angstrom
+    beam_energy = wavelength* 1.23984193e-4
+    temp = input_params.current_temp_k
+    total_angle = input_params.angular_range
+    image_angle = input_params.incr_omega_deg
+    start_angle = input_params.start_angle
+    d_vis = input_params.d_vis
+    xtal_size = status.crystal_size
+    xtal_x = xtal_size.x
+    xtal_y = xtal_size.y
+    xtal_z = xtal_size.z
+
+    flux = 2.5e11  # TODO link flux
+
+    if d_vis == 0.0:
+        d_vis = SimpleStrategyInputModel().d_vis
+
+    d_tar = 1 / (1 / d_vis + 0.1)
+
+    Kdose = 2000 / (wavelength** 2)
+
+    beam_size_um_y = status.geom.beam_size_mm.y * 1000
+    beam_size_um_x = status.geom.beam_size_mm.x * 1000
+    dose_rate_MGy_s = (flux / (beam_size_um_x * beam_size_um_y * Kdose)) / 1e6
+    if xtal_y is None or xtal_z is None or beam_size_um_x is None or beam_size_um_y is None:
+        xtal_size_dose_rate_MGy_s = dose_rate_MGy_s
+
+    elif xtal_y > beam_size_um_y or xtal_z > beam_size_um_y:
+        multiplier_1 = max(xtal_y, beam_size_um_y)
+        multiplier_2 = max(xtal_z, beam_size_um_y)
+        new_beam_um_y = math.sqrt(multiplier_1 * multiplier_2)
+        xtal_size_dose_rate_MGy_s = (flux / (beam_size_um_x * new_beam_um_y * Kdose)) / 1e6
+
+    else:
+        xtal_size_dose_rate_MGy_s = dose_rate_MGy_s
+
+    if temp > 250:
+        target_dose_MGy = 0.1 * d_tar / 2.0
+    else:
+        target_dose_MGy = 10 * d_tar / 2.0
+
+    total_time_s = target_dose_MGy / dose_rate_MGy_s
+
+    if image_angle == 0.0:
+        image_angle = 0.001
+    n_images = round(total_angle / image_angle)
+    image_time_s = total_time_s / n_images
+    if image_time_s < 0.01:
+        transmission = image_time_s / 0.01
+        image_time_s = 0.01
+    else:
+        transmission = 1.0
+
+    dtz = status.diffraction.calc_dtz_mm(d_tar)
+    filename = input_params.filename if input_params.filename else "auto_scan"
+
+    return SimpleScanParameters(
+        dtz=int(round(dtz)),
+        exp_time_s=image_time_s,
+        start_omega_deg=start_angle,
+        incr_omega_deg=image_angle,
+        steps=n_images,
+        transmission=transmission,
+        last_best_res=last_best_res,
+        last_best_b_factor=last_best_b_factor,
+        filename=input_params.filename,
+        crystal_size = xtal_size,
+        flux_ph_s = flux,
+        calculated_dose_rate_MGy_s = dose_rate_MGy_s,
+        xtal_size_dose_rate_MGy_s = xtal_size_dose_rate_MGy_s,
+        target_dose_MGy=target_dose_MGy,
+        beam_size_x_um = beam_size_um_x,
+        beam_size_y_um = beam_size_um_y,
+        d_vis = d_vis,
+        d_tar = d_tar,
+    )