Refs #2838: Start of a Peak object.

Code/Mantid/Framework/DataObjects/CMakeLists.txt

@@ -8,6 +8,7 @@ set ( SRC_FILES
 	src/Histogram1D.cpp
 	src/ManagedDataBlock2D.cpp
 	src/ManagedWorkspace2D.cpp
+	src/Peak.cpp
 	src/PeaksWorkspace.cpp
 	src/TableColumn.cpp
 	src/TableWorkspace.cpp
@@ -32,6 +33,7 @@ set ( INC_FILES
 	inc/MantidDataObjects/Histogram1D.h
 	inc/MantidDataObjects/ManagedDataBlock2D.h
 	inc/MantidDataObjects/ManagedWorkspace2D.h
+	inc/MantidDataObjects/Peak.h
 	inc/MantidDataObjects/PeaksWorkspace.h
 	inc/MantidDataObjects/TableColumn.h
 	inc/MantidDataObjects/TablePointerColumn.h
@@ -49,6 +51,7 @@ set ( TEST_FILES
 	test/LibraryManagerTest.h
 	test/ManagedDataBlock2DTest.h
 	test/ManagedWorkspace2DTest.h
+	test/PeakTest.h
 	test/PeaksWorkspaceTest.h
 	test/RefAxisTest.h
 	test/TableWorkspacePropertyTest.h

Code/Mantid/Framework/DataObjects/inc/MantidDataObjects/Peak.h

+#ifndef MANTID_DATAOBJECTS_PEAK_H_
+#define MANTID_DATAOBJECTS_PEAK_H_
+    
+#include "MantidKernel/System.h"
+#include "MantidGeometry/Math/Matrix.h"
+
+
+namespace Mantid
+{
+namespace DataObjects
+{
+
+  /** Structure describing a single-crystal peak
+   * 
+   * @author Janik Zikovsky
+   * @date 2011-04-15 13:24:07.963491
+   */
+  class Peak
+  {
+  public:
+    Peak();
+    ~Peak();
+    int getDetectorID() const;
+    double getFinalEnergy() const;
+    double getH() const;
+    double getInitialEnergy() const;
+    double getIntensity() const;
+    double getK() const;
+    double getL() const;
+    double getSigIntensity() const;
+    void setDetectorID(int m_DetectorID);
+    void setFinalEnergy(double m_FinalEnergy);
+    void setH(double m_H);
+    void setInitialEnergy(double m_InitialEnergy);
+    void setIntensity(double m_Intensity);
+    void setK(double m_K);
+    void setL(double m_L);
+    void setSigIntensity(double m_SigIntensity);
+
+    Mantid::Geometry::Matrix<double> getOrientationMatrix() const;
+    void setOrientationMatrix(Mantid::Geometry::Matrix<double> m_OrientationMatrix);
+
+    // -- Still to implement --
+    double getWavelength();
+    double getDSpacing();
+    std::string getBankName();
+    int getRow();
+    int getCol();
+
+  protected:
+    /// Integrated peak intensity
+    double m_Intensity;
+
+    /// Error (sigma) on peak intensity
+    double m_SigIntensity;
+
+    /// Final energy of the peak
+    double m_FinalEnergy;
+
+    /// Initial Energy of the peak
+    double m_InitialEnergy;
+
+    /// ID of the detector
+    int m_DetectorID;
+
+    /// H of the peak
+    double m_H;
+
+    /// K of the peak
+    double m_K;
+
+    /// L of the peak
+    double m_L;
+
+    /// Sample orientation matrix
+    Mantid::Geometry::Matrix<double> m_OrientationMatrix;
+  };
+
+
+} // namespace Mantid
+} // namespace DataObjects
+
+#endif  /* MANTID_DATAOBJECTS_PEAK_H_ */

Code/Mantid/Framework/DataObjects/src/Peak.cpp

+#include "MantidDataObjects/Peak.h"
+#include "MantidKernel/System.h"
+
+namespace Mantid
+{
+namespace DataObjects
+{
+
+
+  //----------------------------------------------------------------------------------------------
+  /** Constructor
+   */
+  Peak::Peak()
+  {
+  }
+
+  //----------------------------------------------------------------------------------------------
+  /** Destructor
+   */
+  Peak::~Peak()
+  {
+  }
+
+  int Peak::getDetectorID() const
+  {
+    return m_DetectorID;
+  }
+
+  double Peak::getFinalEnergy() const
+  {
+    return m_FinalEnergy;
+  }
+
+  double Peak::getH() const
+  {
+    return m_H;
+  }
+
+  double Peak::getInitialEnergy() const
+  {
+    return m_InitialEnergy;
+  }
+
+  double Peak::getIntensity() const
+  {
+    return m_Intensity;
+  }
+
+  double Peak::getK() const
+  {
+    return m_K;
+  }
+
+  double Peak::getL() const
+  {
+    return m_L;
+  }
+
+  double Peak::getSigIntensity() const
+  {
+    return m_SigIntensity;
+  }
+
+  void Peak::setDetectorID(int m_DetectorID)
+  {
+    this->m_DetectorID = m_DetectorID;
+  }
+
+  void Peak::setFinalEnergy(double m_FinalEnergy)
+  {
+    this->m_FinalEnergy = m_FinalEnergy;
+  }
+
+  void Peak::setH(double m_H)
+  {
+    this->m_H = m_H;
+  }
+
+  void Peak::setInitialEnergy(double m_InitialEnergy)
+  {
+    this->m_InitialEnergy = m_InitialEnergy;
+  }
+
+  void Peak::setIntensity(double m_Intensity)
+  {
+    this->m_Intensity = m_Intensity;
+  }
+
+  void Peak::setK(double m_K)
+  {
+    this->m_K = m_K;
+  }
+
+  void Peak::setL(double m_L)
+  {
+    this->m_L = m_L;
+  }
+
+  void Peak::setSigIntensity(double m_SigIntensity)
+  {
+    this->m_SigIntensity = m_SigIntensity;
+  }
+
+  Mantid::Geometry::Matrix<double> Peak::getOrientationMatrix() const
+  {
+    return this->m_OrientationMatrix;
+  }
+
+  void Peak::setOrientationMatrix(Mantid::Geometry::Matrix<double> m_OrientationMatrix)
+  {
+    this->m_OrientationMatrix = m_OrientationMatrix;
+  }
+
+
+
+} // namespace Mantid
+} // namespace DataObjects
+

Code/Mantid/Framework/DataObjects/test/PeakTest.h

+#ifndef MANTID_DATAOBJECTS_PEAKTEST_H_
+#define MANTID_DATAOBJECTS_PEAKTEST_H_
+
+#include <cxxtest/TestSuite.h>
+#include "MantidKernel/Timer.h"
+#include "MantidKernel/System.h"
+#include <iostream>
+#include <iomanip>
+
+#include "MantidDataObjects/Peak.h"
+
+using namespace Mantid::DataObjects;
+
+class PeakTest : public CxxTest::TestSuite
+{
+public:
+
+  void test_Something()
+  {
+  }
+
+
+};
+
+
+#endif /* MANTID_DATAOBJECTS_PEAKTEST_H_ */
+