refactor: extract common code from aaredaq

src/aarecommon/math/diffraction_geometry.py

@@ -0,0 +1,87 @@
+import math
+from typing import Annotated, Tuple
+
+from pydantic import BaseModel, Field
+
+
+class DiffractionGeometry(BaseModel):
+    energy_keV: Annotated[float, Field(gt=1.0, lt=100.0)]
+    dtz_mm: Annotated[float, Field(gt=10.0, lt=5000.0)]
+    pixel_size_mm: Annotated[float, Field(ge=0.05, le=0.5)]
+    beam_center_pxl: Tuple[float, float]
+    detector_size_pxl: Tuple[int, int]
+    detector_description: str
+    detector_serial_number: str
+    poni_rot1_rad: float
+    poni_rot2_rad: float
+
+    @property
+    def detector_max_radius_pxl(self):
+        x0 = self.detector_size_pxl[0] - self.beam_center_pxl[0]
+        x1 = self.beam_center_pxl[0]
+        y0 = self.detector_size_pxl[1] - self.beam_center_pxl[1]
+        y1 = self.beam_center_pxl[1]
+        return max(abs(x0), abs(x1), abs(y0), abs(y1))
+
+    @property
+    def detector_radius_mm(self):
+        return self.detector_max_radius_pxl * self.pixel_size_mm
+
+    @property
+    def wavelength_angstrom(self):
+        return 12.398 / self.energy_keV
+
+    @property
+    def max_resolution_angstrom(self):
+        return self.resolution_angstrom(self.dtz_mm)
+
+    def resolution_angstrom(self, exp_dtz_mm: float) -> float:
+        if exp_dtz_mm <= 0:
+            raise ValueError(f"Detector distance must be positive {exp_dtz_mm}")
+
+        theta = math.atan(self.detector_radius_mm / exp_dtz_mm) * 0.5
+        return self.wavelength_angstrom / (2 * math.sin(theta))
+
+    def calc_dtz_mm(self, exp_resolution_angstrom: float) -> float:
+        if exp_resolution_angstrom <= 0:
+            raise ValueError("Resolution must be positive")
+        x = self.wavelength_angstrom / (2 * exp_resolution_angstrom)
+        if x >= 1.0 or x <= -1.0:
+            return 0.0
+        theta = math.asin(x)
+        return self.detector_radius_mm / math.tan(2 * theta)
+
+
+if __name__ == "__main__":
+    from aare.daq.config import BeamlineConfig
+    from aare.devices.jfjoch import JFJochWrapper
+    from aarecommon.config.beamline import mx_beamline
+
+    bl = mx_beamline()
+    client = JFJochWrapper(bl)
+    cfg = BeamlineConfig(bl)
+    print(cfg)
+    det_cfg = client.detector()
+    print(det_cfg)
+    print(f"pixel_size: {det_cfg.pixel_size_mm:.4f} mm")
+    print(f"Detector height: {det_cfg.height:.2f} pixel")
+    print(f"Detector width: {det_cfg.width:.2f} pixel")
+    print(f"beam centre = ({cfg.beam_center[0]:.2f}, {cfg.beam_center[1]:.2f})")
+    geom = DiffractionGeometry(
+        energy_keV=12.4,
+        dtz_mm=200.0,
+        pixel_size_mm=det_cfg.pixel_size_mm,
+        beam_center_pxl=(det_cfg.width / 2, det_cfg.height / 2),
+        detector_size_pxl=(det_cfg.width, det_cfg.height),
+        detector_description=det_cfg.description,
+        detector_serial_number=det_cfg.serial_number,
+        poni_rot1_rad=-0.001396263,
+        poni_rot2_rad=-0.003839724,
+    )
+    print(f"geom.max_resolution_angstrom: {geom.max_resolution_angstrom:.2f} Angstrom")
+    print(f"geom.calc_dtz_mm(3.9): {geom.calc_dtz_mm(3.9):.2f} mm")
+
+    print(
+        f"geom.resolution_angstrom(1244.42): {geom.resolution_angstrom(1244.42):.2f} Angstrom"
+    )
+    print(f"geom.detector_radius_mm: {geom.detector_radius_mm:.2f} mm")