// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #pragma once #include "JFJochException.h" #include "Coord.h" #include "DetectorOrientation.h" #include "GoniometerAxis.h" // The two directions of the PONI convention, as pure functions, so the conversion can be exercised // on its own. rot_matrix = Rz(-rot3) * Rx(-rot2) * Ry(+rot1) in the internal frame (x = column, // y = row downward, z = beam); its columns are the lab directions of a +1 column step, a +1 row step // and the sample->PONI vector. RotMatrix PoniRotMatrix(float rot1, float rot2, float rot3); // The inverse. rot2 comes back in [-pi/2, pi/2] and rot1, rot3 in (-pi, pi], which is the canonical // branch: on it the round trip is the identity. At rot2 = +-pi/2 only rot1 +- rot3 is determined, and // the convention is to put it all into rot1 and leave rot3 at zero. void PoniAnglesFromMatrix(const RotMatrix &rot_matrix, float &rot1, float &rot2, float &rot3); class DiffractionGeometry { float beam_x_pxl = 0.0; float beam_y_pxl = 0.0; float det_distance_mm = 100.0; float pixel_size_mm = 0.075; float wavelength_A = 1.0; float poni_rot_1 = 0.0f; float poni_rot_2 = 0.0f; float poni_rot_3 = 0.0f; DetectorOrientation orientation; // The full detector orientation: the PONI rotation composed with the discrete image orientation. // Its columns are the fast, slow and normal axes. Orthogonal, but improper when the image is // mirrored, so transpose() is still its inverse. RotMatrix det_matrix; std::optional axis; void UpdateDetectorMatrix(); public: DiffractionGeometry &BeamX_pxl(float input); DiffractionGeometry &BeamY_pxl(float input); DiffractionGeometry &DetectorDistance_mm(float input); DiffractionGeometry &PixelSize_mm(float input); DiffractionGeometry &Wavelength_A(float input); DiffractionGeometry &PoniRot1_rad(float input); DiffractionGeometry &PoniRot2_rad(float input); DiffractionGeometry &PoniRot3_rad(float input); DiffractionGeometry &Orientation(const DetectorOrientation &input); // Sets the detector plane from its two axis vectors (unit, orthogonal). The discrete orientation // is left as it is - it says how the image is stored, which two vectors cannot - and the PONI // angles are re-derived so that the two views stay in step. DiffractionGeometry &DetectorAxes(const Coord &fast, const Coord &slow); DiffractionGeometry &Rotation(const std::optional &input); [[nodiscard]] float GetBeamX_pxl() const; [[nodiscard]] float GetBeamY_pxl() const; [[nodiscard]] float GetDetectorDistance_mm() const; [[nodiscard]] float GetPixelSize_mm() const; [[nodiscard]] float GetWavelength_A() const; [[nodiscard]] Coord GetScatteringVector() const; [[nodiscard]] float GetPoniRot1_rad() const; [[nodiscard]] float GetPoniRot2_rad() const; [[nodiscard]] float GetPoniRot3_rad() const; [[nodiscard]] DetectorOrientation GetOrientation() const; [[nodiscard]] Coord GetFastAxis() const; // lab direction of a +1 column step [[nodiscard]] Coord GetSlowAxis() const; // lab direction of a +1 row step [[nodiscard]] Coord GetNormalAxis() const; // sample -> PONI direction [[nodiscard]] std::pair GetDirectBeam_pxl() const; [[nodiscard]] std::optional GetRotation() const; [[nodiscard]] Coord LabCoord(float x, float y) const; [[nodiscard]] Coord DetectorToRecip(float x, float y) const; [[nodiscard]] std::pair RecipToDetector(const Coord &recip) const; [[nodiscard]] float TwoTheta_rad(float x, float y) const; [[nodiscard]] float Phi_rad(float x, float y) const; [[nodiscard]] float PxlToRes(float x, float y) const; [[nodiscard]] float PxlToQ(float x, float y) const; [[nodiscard]] float PxlToRes(float dist_pxl) const; [[nodiscard]] float ResToPxl(float d_A) const; [[nodiscard]] Coord ResToPxl(float d_A, float phi) const; [[nodiscard]] float DistFromEwaldSphere(const Coord& recip) const; [[nodiscard]] float CalcAzIntSolidAngleCorr(float x, float y) const; [[nodiscard]] float CalcAzIntPolarizationCorr(float x, float y, float coeff) const; [[nodiscard]] std::pair ResPhiToPxl(float d_A, float phi_rad) const; [[nodiscard]] Coord ProjectToEwaldSphere(const Coord &p0) const; // eq. 18 in https://journals.iucr.org/d/issues/2014/08/00/dz5332/index.html [[nodiscard]] float AngleFromEwaldSphere_deg(const Coord &p0) const; [[nodiscard]] const RotMatrix& GetDetectorMatrix() const; };