DiffractionGeometry: Store rotation matrix

common/DiffractionExperiment.cpp

@@ -1420,7 +1420,8 @@ DiffractionGeometry DiffractionExperiment::GetDiffractionGeometry() const {
             .DetectorDistance_mm(dataset.GetDetectorDistance_mm())
             .PoniRot1_rad(dataset.GetPoniRot1_rad())
             .PoniRot2_rad(dataset.GetPoniRot2_rad())
-            .PoniRot3_rad(dataset.GetPoniRot3_rad());
+            .PoniRot3_rad(dataset.GetPoniRot3_rad())
+            .Rotation(dataset.GetGoniometer());
     return g;
 }
 

common/DiffractionGeometry.cpp

@@ -244,3 +244,12 @@ Coord DiffractionGeometry::ProjectToEwaldSphere(const Coord &p0) const {
 const RotMatrix &DiffractionGeometry::GetPoniRotMatrix() const {
     return poni_rot;
 }
+
+std::optional<GoniometerAxis> DiffractionGeometry::GetRotation() const {
+    return axis;
+}
+
+DiffractionGeometry &DiffractionGeometry::Rotation(const std::optional<GoniometerAxis> &input) {
+    axis = input;
+    return *this;
+}

common/DiffractionGeometry.h

@@ -6,6 +6,7 @@
 
 #include "JFJochException.h"
 #include "Coord.h"
+#include "GoniometerAxis.h"
 
 class DiffractionGeometry {
     float beam_x_pxl = 0.0;
@@ -17,6 +18,8 @@ class DiffractionGeometry {
     float poni_rot_2 = 0.0f;
     float poni_rot_3 = 0.0f;
     RotMatrix poni_rot;
+
+    std::optional<GoniometerAxis> axis;
     void UpdatePoniRotMatrix();
 public:
     DiffractionGeometry &BeamX_pxl(float input);
@@ -27,6 +30,7 @@ public:
     DiffractionGeometry &PoniRot1_rad(float input);
     DiffractionGeometry &PoniRot2_rad(float input);
     DiffractionGeometry &PoniRot3_rad(float input);
+    DiffractionGeometry &Rotation(const std::optional<GoniometerAxis> &input);
 
     [[nodiscard]] float GetBeamX_pxl() const;
     [[nodiscard]] float GetBeamY_pxl() const;
@@ -38,6 +42,7 @@ public:
     [[nodiscard]] float GetPoniRot2_rad() const;
     [[nodiscard]] float GetPoniRot3_rad() const;
     [[nodiscard]] std::pair<float, float> GetDirectBeam_pxl() const;
+    [[nodiscard]] std::optional<GoniometerAxis> GetRotation() const;
 
     [[nodiscard]] Coord LabCoord(float x, float y) const;
     [[nodiscard]] Coord DetectorToRecip(float x, float y) const;
@@ -60,6 +65,8 @@ public:
     [[nodiscard]] float AngleFromEwaldSphere_deg(const Coord &p0) const;
 
     [[nodiscard]] const RotMatrix& GetPoniRotMatrix() const;
+
+
 };
 
 #endif //JUNGFRAUJOCH_DIFFRACTIONGEOMETRY_H