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