Move goniometer back to private and use getters

Framework/DataObjects/inc/MantidDataObjects/BasePeak.h

@@ -103,6 +103,7 @@ public:
   void setBinCount(double m_binCount) override;
 
   Mantid::Kernel::Matrix<double> getGoniometerMatrix() const override;
+  Mantid::Kernel::Matrix<double> getInverseGoniometerMatrix() const;
   void setGoniometerMatrix(
       const Mantid::Kernel::Matrix<double> &goniometerMatrix) override;
 
@@ -131,14 +132,6 @@ public:
   void setAbsorptionWeightedPathLength(double pathLength) override;
   double getAbsorptionWeightedPathLength() const override;
 
-protected:
-  /// Orientation matrix of the goniometer angles.
-  Mantid::Kernel::Matrix<double> m_GoniometerMatrix;
-
-  /// Inverse of the goniometer rotation matrix; used to go from Q in lab frame
-  /// to Q in sample frame
-  Mantid::Kernel::Matrix<double> m_InverseGoniometerMatrix;
-
 private:
   /// Name of the parent bank
   std::string m_bankName;
@@ -170,6 +163,13 @@ private:
   /// absorption weighted path length (aka t bar)
   double m_absorptionWeightedPathLength;
 
+  /// Orientation matrix of the goniometer angles.
+  Mantid::Kernel::Matrix<double> m_GoniometerMatrix;
+
+  /// Inverse of the goniometer rotation matrix; used to go from Q in lab frame
+  /// to Q in sample frame
+  Mantid::Kernel::Matrix<double> m_InverseGoniometerMatrix;
+
   /// Originating run number for this peak
   int m_runNumber;
 

Framework/DataObjects/src/BasePeak.cpp

@@ -31,10 +31,10 @@ namespace DataObjects {
 //----------------------------------------------------------------------------------------------
 /** Default constructor */
 BasePeak::BasePeak()
-    : m_GoniometerMatrix(3, 3, true), m_InverseGoniometerMatrix(3, 3, true),
-      m_H(0), m_K(0), m_L(0), m_intensity(0), m_sigmaIntensity(0),
+    : m_H(0), m_K(0), m_L(0), m_intensity(0), m_sigmaIntensity(0),
       m_binCount(0), m_initialEnergy(0.), m_finalEnergy(0.),
-      m_absorptionWeightedPathLength(0), m_runNumber(0), m_monitorCount(0),
+      m_absorptionWeightedPathLength(0), m_GoniometerMatrix(3, 3, true),
+      m_InverseGoniometerMatrix(3, 3, true), m_runNumber(0), m_monitorCount(0),
       m_row(-1), m_col(-1), m_peakNumber(0), m_intHKL(V3D(0, 0, 0)),
       m_intMNP(V3D(0, 0, 0)), m_peakShape(std::make_shared<NoShape>()) {}
 
@@ -45,10 +45,10 @@ BasePeak::BasePeak()
  */
 
 BasePeak::BasePeak(const Mantid::Kernel::Matrix<double> &goniometer)
-    : m_GoniometerMatrix(goniometer), m_InverseGoniometerMatrix(goniometer),
-      m_H(0), m_K(0), m_L(0), m_intensity(0), m_sigmaIntensity(0),
+    : m_H(0), m_K(0), m_L(0), m_intensity(0), m_sigmaIntensity(0),
       m_binCount(0), m_initialEnergy(0.), m_finalEnergy(0.),
-      m_absorptionWeightedPathLength(0), m_runNumber(0), m_monitorCount(0),
+      m_absorptionWeightedPathLength(0), m_GoniometerMatrix(goniometer),
+      m_InverseGoniometerMatrix(goniometer), m_runNumber(0), m_monitorCount(0),
       m_row(-1), m_col(-1), m_peakNumber(0), m_intHKL(V3D(0, 0, 0)),
       m_intMNP(V3D(0, 0, 0)), m_peakShape(std::make_shared<NoShape>()) {
   if (fabs(m_InverseGoniometerMatrix.Invert()) < 1e-8)
@@ -57,14 +57,14 @@ BasePeak::BasePeak(const Mantid::Kernel::Matrix<double> &goniometer)
 }
 
 BasePeak::BasePeak(const BasePeak &other)
-    : m_GoniometerMatrix(other.m_GoniometerMatrix),
-      m_InverseGoniometerMatrix(other.m_InverseGoniometerMatrix),
-      m_bankName(other.m_bankName), m_H(other.m_H), m_K(other.m_K),
+    : m_bankName(other.m_bankName), m_H(other.m_H), m_K(other.m_K),
       m_L(other.m_L), m_intensity(other.m_intensity),
       m_sigmaIntensity(other.m_sigmaIntensity), m_binCount(other.m_binCount),
       m_initialEnergy(other.m_initialEnergy),
       m_finalEnergy(other.m_finalEnergy),
       m_absorptionWeightedPathLength(other.m_absorptionWeightedPathLength),
+      m_GoniometerMatrix(other.m_GoniometerMatrix),
+      m_InverseGoniometerMatrix(other.m_InverseGoniometerMatrix),
       m_runNumber(other.m_runNumber), m_monitorCount(other.m_monitorCount),
       m_row(other.m_row), m_col(other.m_col), m_peakNumber(other.m_peakNumber),
       m_intHKL(other.m_intHKL), m_intMNP(other.m_intMNP),
@@ -74,17 +74,17 @@ BasePeak::BasePeak(const BasePeak &other)
 /** Constructor making a LeanPeak from IPeak interface
  *
  * @param ipeak :: const reference to an IPeak object
- * @return
  */
 BasePeak::BasePeak(const Geometry::IPeak &ipeak)
-    : IPeak(ipeak), m_GoniometerMatrix(ipeak.getGoniometerMatrix()),
-      m_InverseGoniometerMatrix(ipeak.getGoniometerMatrix()), m_H(ipeak.getH()),
-      m_K(ipeak.getK()), m_L(ipeak.getL()), m_intensity(ipeak.getIntensity()),
+    : IPeak(ipeak), m_H(ipeak.getH()), m_K(ipeak.getK()), m_L(ipeak.getL()),
+      m_intensity(ipeak.getIntensity()),
       m_sigmaIntensity(ipeak.getSigmaIntensity()),
       m_binCount(ipeak.getBinCount()),
       m_initialEnergy(ipeak.getInitialEnergy()),
       m_finalEnergy(ipeak.getFinalEnergy()),
       m_absorptionWeightedPathLength(ipeak.getAbsorptionWeightedPathLength()),
+      m_GoniometerMatrix(ipeak.getGoniometerMatrix()),
+      m_InverseGoniometerMatrix(ipeak.getGoniometerMatrix()),
       m_runNumber(ipeak.getRunNumber()),
       m_monitorCount(ipeak.getMonitorCount()), m_row(ipeak.getRow()),
       m_col(ipeak.getCol()), m_peakNumber(ipeak.getPeakNumber()),
@@ -287,6 +287,12 @@ Mantid::Kernel::Matrix<double> BasePeak::getGoniometerMatrix() const {
   return this->m_GoniometerMatrix;
 }
 
+// -------------------------------------------------------------------------------------
+/** Get the goniometer rotation matrix at which this peak was measured. */
+Mantid::Kernel::Matrix<double> BasePeak::getInverseGoniometerMatrix() const {
+  return this->m_InverseGoniometerMatrix;
+}
+
 /** Set the goniometer rotation matrix at which this peak was measured.
  * @param goniometerMatrix :: 3x3 matrix that represents the rotation matrix of
  * the goniometer

Framework/DataObjects/src/LeanPeak.cpp

@@ -64,6 +64,7 @@ LeanPeak::LeanPeak(const Mantid::Kernel::V3D &QSampleFrame,
  *
  * @param QSampleFrame :: Q of the center of the peak, in reciprocal space, in
  *the sample frame (goniometer rotation accounted for).
+ * @param wavelength :: wavelength in Angstroms.
  */
 LeanPeak::LeanPeak(const Mantid::Kernel::V3D &QSampleFrame, double wavelength)
     : BasePeak() {
@@ -77,6 +78,7 @@ LeanPeak::LeanPeak(const Mantid::Kernel::V3D &QSampleFrame, double wavelength)
  *
  * @param QSampleFrame :: Q of the center of the peak, in reciprocal space
  * @param goniometer :: a 3x3 rotation matrix
+ * @param wavelength :: wavelength in Angstroms.
  */
 LeanPeak::LeanPeak(const Mantid::Kernel::V3D &QSampleFrame,
                    const Mantid::Kernel::Matrix<double> &goniometer,
@@ -89,7 +91,6 @@ LeanPeak::LeanPeak(const Mantid::Kernel::V3D &QSampleFrame,
 /**
  * @brief Copy constructor
  * @param other : Source
- * @return
  */
 LeanPeak::LeanPeak(const LeanPeak &other)
     : BasePeak(other), m_Qsample(other.m_Qsample) {}
@@ -98,7 +99,6 @@ LeanPeak::LeanPeak(const LeanPeak &other)
 /** Constructor making a LeanPeak from IPeak interface
  *
  * @param ipeak :: const reference to an IPeak object
- * @return
  */
 LeanPeak::LeanPeak(const Geometry::IPeak &ipeak)
     : BasePeak(ipeak), m_Qsample(ipeak.getQSampleFrame()) {}
@@ -174,7 +174,7 @@ double LeanPeak::getDSpacing() const { return 2 * M_PI / m_Qsample.norm(); }
  * Note: There is a 2*pi factor used, so |Q| = 2*pi/wavelength.
  * */
 Mantid::Kernel::V3D LeanPeak::getQLabFrame() const {
-  return m_GoniometerMatrix * m_Qsample;
+  return getGoniometerMatrix() * m_Qsample;
 }
 
 //----------------------------------------------------------------------------------------------
@@ -192,6 +192,7 @@ Mantid::Kernel::V3D LeanPeak::getQSampleFrame() const { return m_Qsample; }
  * @param QSampleFrame :: Q of the center of the peak, in reciprocal space
  *        This is in inelastic convention: momentum transfer of the LATTICE!
  *        Also, q does NOT have a 2pi factor = it is equal to 1/wavelength.
+ * @param detectorDistance :: unused
  */
 void LeanPeak::setQSampleFrame(
     const Mantid::Kernel::V3D &QSampleFrame,
@@ -210,15 +211,16 @@ void LeanPeak::setQSampleFrame(
  * @param qLab :: Q of the center of the peak, in reciprocal space.
  *        This is in inelastic convention: momentum transfer of the LATTICE!
  *        Also, q does have a 2pi factor = it is equal to 2pi/wavelength (in
- *Angstroms).
+ *        Angstroms).
  * @param detectorDistance :: distance between the sample and the detector. If
- *this is provided. Then we do not
- * ray trace to find the intersecing detector.
+ *        this is provided. Then we do not ray trace to find the intersecing
+ *detector.
+ * @param detectorDistance :: unused
  */
 void LeanPeak::setQLabFrame(
     const Mantid::Kernel::V3D &qLab,
     [[maybe_unused]] boost::optional<double> detectorDistance) {
-  this->setQSampleFrame(m_InverseGoniometerMatrix * qLab);
+  this->setQSampleFrame(getInverseGoniometerMatrix() * qLab);
 }
 
 /** Set sample position

Framework/DataObjects/src/Peak.cpp

@@ -172,9 +172,6 @@ Peak::Peak(const Peak &other)
 Peak::Peak(const Geometry::IPeak &ipeak)
     : BasePeak(ipeak), m_detectorID(ipeak.getDetectorID()) {
   convention = Kernel::ConfigService::Instance().getString("Q.convention");
-  if (fabs(m_InverseGoniometerMatrix.Invert()) < 1e-8)
-    throw std::invalid_argument(
-        "Peak::ctor(): Goniometer matrix must non-singular.");
   setInstrument(ipeak.getInstrument());
   detid_t id = ipeak.getDetectorID();
   if (id >= 0) {
@@ -413,7 +410,7 @@ Mantid::Kernel::V3D Peak::getQLabFrame() const {
 Mantid::Kernel::V3D Peak::getQSampleFrame() const {
   V3D Qlab = this->getQLabFrame();
   // Multiply by the inverse of the goniometer matrix to get the sample frame
-  V3D Qsample = m_InverseGoniometerMatrix * Qlab;
+  V3D Qsample = getInverseGoniometerMatrix() * Qlab;
   return Qsample;
 }
 
@@ -432,7 +429,7 @@ Mantid::Kernel::V3D Peak::getQSampleFrame() const {
  */
 void Peak::setQSampleFrame(const Mantid::Kernel::V3D &QSampleFrame,
                            boost::optional<double> detectorDistance) {
-  V3D Qlab = m_GoniometerMatrix * QSampleFrame;
+  V3D Qlab = getGoniometerMatrix() * QSampleFrame;
   this->setQLabFrame(Qlab, detectorDistance);
 }