More updates to geometry for ray tracing/Monte Carlo framework, Re #1212.

Removed unused material fields from Object class, Re #1735

Code/Mantid/Algorithms/src/AbsorptionCorrection.cpp

@@ -312,7 +312,7 @@ void AbsorptionCorrection::calculateDistances(const Geometry::IDetector_const_sp
     }
     else // The normal situation
     {
-      L2s[i] = outgoing.begin()->Dist;
+      L2s[i] = outgoing.begin()->distFromStart;
     }
   }
 }

Code/Mantid/Algorithms/src/AnyShapeAbsorption.cpp

@@ -108,7 +108,7 @@ void AnyShapeAbsorption::initialiseCachedDistances()
           // the element in this case.
           if ( m_sampleObject->interceptSurface(incoming) > 0 )
           {
-            m_L1s.push_back(incoming.begin()->Dist);
+            m_L1s.push_back(incoming.begin()->distFromStart);
             m_elementPositions.push_back(currentPosition);
             // Also calculate element volume here
             m_elementVolumes.push_back(XSliceThickness*YSliceThickness*ZSliceThickness);

Code/Mantid/Algorithms/src/CylinderAbsorption.cpp

@@ -120,7 +120,7 @@ void CylinderAbsorption::initialiseCachedDistances()
         Track incoming(m_elementPositions[counter], m_beamDirection*-1.0);
 
         m_sampleObject->interceptSurface(incoming);
-        m_L1s[counter] = incoming.begin()->Dist;
+        m_L1s[counter] = incoming.begin()->distFromStart;
 
         // Also calculate element volumes here
         const double outerR = R + (m_deltaR / 2.0);

Code/Mantid/Algorithms/src/DetectorEfficiencyCor.cpp

@@ -350,7 +350,7 @@ double DetectorEfficiencyCor::distToSurface(const V3D start, const Object *shape
     throw std::invalid_argument("Fatal error interpreting the shape of a detector");
   }
   // the first part of the track will be the part inside the shape, return its length
-  return track.begin()->Length;
+  return track.begin()->distInsideObject;
 }
 
 /** Calculates detector efficiency, copied from the fortran code in effic_3he_cylinder.for

Code/Mantid/Algorithms/src/FlatPlateAbsorption.cpp

@@ -106,7 +106,7 @@ void FlatPlateAbsorption::initialiseCachedDistances()
         // Create track for distance in sample before scattering point
         Track incoming(m_elementPositions[counter], m_beamDirection*-1.0);
         m_sampleObject->interceptSurface(incoming);
-        m_L1s[counter] = incoming.begin()->Dist;
+        m_L1s[counter] = incoming.begin()->distFromStart;
 
         // Also calculate element volume here
         m_elementVolumes[counter] = m_XSliceThickness*m_YSliceThickness*m_ZSliceThickness;

Code/Mantid/Algorithms/src/He3TubeEfficiency.cpp

@@ -320,7 +320,7 @@ double He3TubeEfficiency::distToSurface(const Geometry::V3D start,
   }
   // the first part of the track will be the part inside the shape,
   // return its length
-  return track.begin()->Length;
+  return track.begin()->distInsideObject;
 }
 
 /**

Code/Mantid/Geometry/inc/MantidGeometry/Instrument/RectangularDetector.h

@@ -70,10 +70,14 @@ public:
 
   /// Get a detector at given XY indices.
   boost::shared_ptr<Detector> getAtXY(int X, int Y) const;
-
-
+  /// Return the number of pixels in the X direction
   int xpixels() const;
+  /// Return the number of pixels in the Y direction
   int ypixels() const;
+  
+  // This should inherit the getBoundingBox implementation from  CompAssembly but
+  // the multiple inheritance seems to confuse it so we'll explicityly tell it that here
+  using CompAssembly::getBoundingBox;
 
   // ------------ IObjComponent methods ----------------
 
@@ -88,9 +92,7 @@ public:
 
   /// Finds the approximate solid angle covered by the component when viewed from the point given
   double solidAngle(const V3D& observer) const;
-
-  BoundingBox getBoundingBox() const;
-
+  /// Retrieve the cached bounding box
   void getBoundingBox(double &xmax, double &ymax, double &zmax, double &xmin, double &ymin, double &zmin) const;
 
   ///Try to find a point that lies within (or on) the object
@@ -131,8 +133,6 @@ private:
 
   /// Pointer to the shape of the pixels in this detector array.
   boost::shared_ptr<Object> mShape;
-
-
 };
 
 DLLExport std::ostream& operator<<(std::ostream&, const RectangularDetector&);

Code/Mantid/Geometry/inc/MantidGeometry/Objects/Material.h

-#ifndef MATERIAL_H
-#define MATERIAL_H
+#ifndef MANTID_GEOMETRY_MATERIAL_H_
+#define MANTID_GEOMETRY_MATERIAL_H_
 
 #include "MantidKernel/System.h"
 #include <string>
 
 namespace Mantid
 {
-  namespace Kernel
-  {
-    class Logger;
-  }
-
-namespace Geometry
-{
-  /*!
-    \class Material
-    \brief Nuetronic information on the material
-    \author S. Ansell
-    \version 1.0
-    \date July 2007
-    
-    This can be extended so that more sophisticated material
-    components can be used.
-    \todo This class nees to have a base class.
 
-    Copyright &copy; 2007 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
+  namespace Geometry
+  {
+    /**
+    Simple class defining a material. It holds basic information:
+    <UL>
+    <LI>Temperature (Kelvin)</LI>
+    <LI>Pressure (KPa) </LI>
+    <LI>Density (kg/m^3)</LI>
+    <LI>Coherent scattering cross section</LI>
+    <LI>Incoherent scattering cross section</LI>
+    <LI>Absorption cross section</LI>
+    </UL>
+
+    Copyright &copy; 2007-2010 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
 
     This file is part of Mantid.
-   	
+
     Mantid is free software; you can redistribute it and/or modify
     it under the terms of the GNU General Public License as published by
     the Free Software Foundation; either version 3 of the License, or
     (at your option) any later version.
-    
+
     Mantid is distributed in the hope that it will be useful,
     but WITHOUT ANY WARRANTY; without even the implied warranty of
     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     GNU General Public License for more details.
-    
+
     You should have received a copy of the GNU General Public License
     along with this program.  If not, see <http://www.gnu.org/licenses/>.
-    
-    File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
-
-  */
-  
-class DLLExport Material
-{
- private:
 
-  static Kernel::Logger& PLog;           ///< The official logger
-  
-  std::string Name;      ///< Name 
-  double density;        ///< number density [atom/A^3]
-  double scoh;           ///< scattering cross section 
-  double sinc;           ///< incoherrrent cross section 
-  double sabs;           ///< Absorption cross section
-  
- public:
-  
-  Material();
-  Material(const std::string& N,const double D,
-	   const double S,const double I,const double A);
-  Material(const double D,const double S,const double I,const double A);
-  Material(const Material&);
-  virtual Material* clone() const;
-  Material& operator=(const Material&);
-  virtual ~Material();
-  
-  /// Set the name
-  void setName(const std::string& N) { Name=N; }
-  void setDensity(const double D);
-  void setScat(const double S,const double I,const double A);
+    File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
 
-  /// Get the number density
-  double getAtomDensity() const { return density; }
+    */
+    class DLLExport Material
+    {
+    public:
+      /// Constructor
+      explicit Material(const std::string & name, const double density, 
+        const double temperature, const double pressure,
+        const double coherentXsec, const double incoherentXsec,
+        const double absorbXsec);
 
-  /// Set the name
-  const std::string& getName() const { return Name; }
-  /// Get the total cross section
-  double getScat() const { return scoh+sinc; }
-  /// Get the scattering cross section
-  double getCoh() const { return scoh; }
-  /// Get the incoherent cross section
-  double getInc() const { return sinc; }
-  double getScatFrac(const double Wave) const;
-  double getAtten(const double Wave) const; 
-  double getAttenAbs(const double Wave) const; 
+      /** 
+      * Returns the name 
+      * @returns A string containing the name of the material
+      */
+      inline const std::string& name() const { return m_name; }
+      /** 
+      * Get the density
+      * @returns The density of the material
+      */
+      inline double density() const { return m_density; }
+      /** 
+      * Get the temperature
+      * @returns The temperature of the material
+      */
+      inline double temperature() const { return m_temperature; }
+      /** 
+      * Get the pressure
+      * @returns The pressure of the material
+      */
+      inline double pressure() const { return m_pressure; }
+      /**
+      * Get the total cross section
+      * @returns The sum of the coherent and incoherent scattering cross section
+      */
+      inline double totalCrossSection() const { return m_coherentXsec + m_incoherentXsec; }
+      /**
+      * Get the coherent cross section
+      * @returns The coherent scattering cross section
+      */
+      inline double coherentCrossSection() const { return m_coherentXsec; }
+      /**
+      * Get the incoherent cross section
+      * @returns The incoherent scattering cross section
+      */
+      inline double incoherentCrossSection() const { return m_incoherentXsec; }
+      /**
+      * Get the absorption cross section
+      * @returns The absorption scattering cross section
+      */
+      inline double absorptionCrossSection() const { return m_absorbXsec; }
 
-  double calcAtten(const double Wave,const double Length) const;
-  
-};
+    private:
+      /// Default constructor
+      Material();
 
+    private:
+      /// Material name
+      std::string m_name;
+      /// Density in kg/m^3
+      double m_density;
+      /// Temperature
+      double m_temperature;
+      /// Pressure
+      double m_pressure;
+      /// Coherent scattering cross section
+      double m_coherentXsec;
+      /// Incoherent scattering cross section
+      double m_incoherentXsec;
+      /// Absorption cross section
+      double m_absorbXsec;     
+    };
 
-} // NAMESPACE Geometry
 
-}  // NAMESPACE Mantid
+  }
+}
 
-#endif
+#endif //MANTID_GEOMETRY_MATERIAL_H_

Code/Mantid/Geometry/inc/MantidGeometry/Objects/Object.h

@@ -33,7 +33,7 @@ namespace Mantid
     class vtkGeometryCacheReader;
     class vtkGeometryCacheWriter;
     class BoundingBox;
-    
+
     /*!
     \class Object
     \brief Global object for object
@@ -41,8 +41,7 @@ namespace Mantid
     \date July 2007
     \author S. Ansell
 
-    An object is a collection of Rules and
-    surface object
+    An object is a collection of Rules and surface objects
 
     Copyright © 2007-2010 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
 
@@ -66,86 +65,27 @@ namespace Mantid
     */
     class DLLExport Object
     {
-    private:
-      static Kernel::Logger& PLog;           ///< The official logger
-
-      int ObjName;       ///< Creation number
-      int MatN;          ///< Material Number
-      double Tmp;        ///< Temperature (K)
-      double density;    ///< Density
-
-      Rule* TopRule;     ///< Top rule [ Geometric scope of object]
-
-      int procPair(std::string& Ln,std::map<int,Rule*>& Rlist,int& compUnit) const;
-      CompGrp* procComp(Rule*) const;
-      int checkSurfaceValid(const Geometry::V3D&,const Geometry::V3D&) const;
-      boost::shared_ptr<BoundingBox> m_boundingBox;
-
-      // -- DEPRECATED --
-      mutable double AABBxMax,  ///< xmax of Axis aligned bounding box cache
-        AABByMax,  ///< ymax of Axis aligned bounding box cache
-        AABBzMax,  ///< zmax of Axis aligned bounding box cache
-        AABBxMin,  ///< xmin of Axis aligned bounding box cache
-        AABByMin,  ///< xmin of Axis aligned bounding box cache
-        AABBzMin;  ///< zmin of Axis Aligned Bounding Box Cache
-      mutable bool  boolBounded; ///< flag true if a bounding box exists, either by getBoundingBox or defineBoundingBox
-      // -- --
-
-      int searchForObject(Geometry::V3D&) const;
-      double getTriangleSolidAngle(const V3D& a, const V3D& b, const V3D& c, const V3D& observer) const;
-      double CuboidSolidAngle(const V3D observer, const std::vector<Geometry::V3D> vectors) const;
-      double SphereSolidAngle(const V3D observer, const std::vector<Geometry::V3D> vectors, const double radius) const;
-      double CylinderSolidAngle(const V3D & observer, const Mantid::Geometry::V3D & centre, 
-        const Mantid::Geometry::V3D & axis, 
-        const double radius, const double height) const;
-      double ConeSolidAngle(const V3D & observer, const Mantid::Geometry::V3D & centre, 
-        const Mantid::Geometry::V3D & axis, 
-        const double radius, const double height) const;
-
-      /// Geometry Handle for rendering
-      boost::shared_ptr<GeometryHandler> handle;
-      friend class CacheGeometryHandler;
-      /// Is geometry caching enabled?
-      bool bGeometryCaching;
-      /// a pointer to a class for reading from the geometry cache
-      boost::shared_ptr<vtkGeometryCacheReader> vtkCacheReader;
-      /// a pointer to a class for writing to the geometry cache
-      boost::shared_ptr<vtkGeometryCacheWriter> vtkCacheWriter;
-      void updateGeometryHandler();
-      /// for solid angle from triangulation
-      int NumberOfTriangles() const;
-      int NumberOfPoints() const;
-      int* getTriangleFaces() const;
-      double* getTriangleVertices() const;
-      void GetObjectGeom(int& type, std::vector<Geometry::V3D>& vectors, double& myradius, double & myheight) const;
-
-    protected:
-      std::vector<const Surface*> SurList;  ///< Full surfaces (make a map including complementary object ?)
-
     public:
+      /// Default constructor
       Object();
+      /// Copy constructor
       Object(const Object&);
+      /// Assignment operator
       Object& operator=(const Object&);
+      /// Destructor
       virtual ~Object();
 
       /// Return the top rule
       const Rule* topRule() const { return TopRule; }
 
       void setName(const int nx) { ObjName=nx; }           ///< Set Name
-      void setTemp(const double A) { Tmp=A; }              ///< Set temperature [Kelvin]
+      int getName() const  { return ObjName; }             ///< Get Name
+
       int setObject(const int ON,const std::string& Ln);
       int procString(const std::string& Line);
-      void setMaterial(const int MatIndex) { MatN=MatIndex; }  ///< Set Material index
-      void setDensity(const double D) { density=D; }           ///< Set Density [Atom/A^3]
-
       int complementaryObject(const int Cnum,std::string& Ln); ///< Process a complementary object
       int hasComplement() const;
 
-      int getName() const  { return ObjName; }             ///< Get Name
-      int getMat() const { return MatN; }                  ///< Get Material ID
-      double getTemp() const { return Tmp; }               ///< Get Temperature [K]
-      double getDensity() const { return density; }        ///< Get Density [Atom/A^3]
-
       int populate(const std::map<int,Surface*>&);
       int createSurfaceList(const int outFlag=0);               ///< create Surface list
       int addSurfString(const std::string&);     ///< Not implemented
@@ -212,6 +152,63 @@ namespace Mantid
       void setVtkGeometryCacheWriter(boost::shared_ptr<vtkGeometryCacheWriter>);
       ///set vtkGeometryCache reader
       void setVtkGeometryCacheReader(boost::shared_ptr<vtkGeometryCacheReader>);
+    private:
+      static Kernel::Logger& PLog;           ///< The official logger
+
+      int ObjName;       ///< Creation number
+      //int MatN;          ///< Material Number
+      //double Tmp;        ///< Temperature (K)
+      //double density;    ///< Density
+
+      Rule* TopRule;     ///< Top rule [ Geometric scope of object]
+
+      int procPair(std::string& Ln,std::map<int,Rule*>& Rlist,int& compUnit) const;
+      CompGrp* procComp(Rule*) const;
+      int checkSurfaceValid(const Geometry::V3D&,const Geometry::V3D&) const;
+      boost::shared_ptr<BoundingBox> m_boundingBox;
+
+      // -- DEPRECATED --
+      mutable double AABBxMax,  ///< xmax of Axis aligned bounding box cache
+        AABByMax,  ///< ymax of Axis aligned bounding box cache
+        AABBzMax,  ///< zmax of Axis aligned bounding box cache
+        AABBxMin,  ///< xmin of Axis aligned bounding box cache
+        AABByMin,  ///< xmin of Axis aligned bounding box cache
+        AABBzMin;  ///< zmin of Axis Aligned Bounding Box Cache
+      mutable bool  boolBounded; ///< flag true if a bounding box exists, either by getBoundingBox or defineBoundingBox
+      // -- --
+
+      int searchForObject(Geometry::V3D&) const;
+      double getTriangleSolidAngle(const V3D& a, const V3D& b, const V3D& c, const V3D& observer) const;
+      double CuboidSolidAngle(const V3D observer, const std::vector<Geometry::V3D> vectors) const;
+      double SphereSolidAngle(const V3D observer, const std::vector<Geometry::V3D> vectors, const double radius) const;
+      double CylinderSolidAngle(const V3D & observer, const Mantid::Geometry::V3D & centre, 
+        const Mantid::Geometry::V3D & axis, 
+        const double radius, const double height) const;
+      double ConeSolidAngle(const V3D & observer, const Mantid::Geometry::V3D & centre, 
+        const Mantid::Geometry::V3D & axis, 
+        const double radius, const double height) const;
+
+      /// Geometry Handle for rendering
+      boost::shared_ptr<GeometryHandler> handle;
+      friend class CacheGeometryHandler;
+      /// Is geometry caching enabled?
+      bool bGeometryCaching;
+      /// a pointer to a class for reading from the geometry cache
+      boost::shared_ptr<vtkGeometryCacheReader> vtkCacheReader;
+      /// a pointer to a class for writing to the geometry cache
+      boost::shared_ptr<vtkGeometryCacheWriter> vtkCacheWriter;
+      void updateGeometryHandler();
+      /// for solid angle from triangulation
+      int NumberOfTriangles() const;
+      int NumberOfPoints() const;
+      int* getTriangleFaces() const;
+      double* getTriangleVertices() const;
+      void GetObjectGeom(int& type, std::vector<Geometry::V3D>& vectors, double& myradius, double & myheight) const;
+
+    protected:
+      std::vector<const Surface*> SurList;  ///< Full surfaces (make a map including complementary object ?)
+
+
     };
 
   }  // NAMESPACE Geometry

Code/Mantid/Geometry/inc/MantidGeometry/Objects/Track.h

-#ifndef MANTID_GEOMETRY_TRACK_H_
-#define MANTID_GEOMETRY_TRACK_H_
-
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
-#include "MantidKernel/System.h"
-#include "MantidGeometry/V3D.h"
-
-namespace Mantid
-{
-//----------------------------------------------------------------------
-// Forward Declaration
-//----------------------------------------------------------------------
-namespace Kernel
-{
-  class Logger;
-}
-
-namespace Geometry
-{
-/*!
-  \struct TUnit
-  \version 1.0
-  \author S. Ansell
-  \brief For a leg of a track
-
-  Copyright © 2007 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
-
-  This file is part of Mantid.
-
-  Mantid is free software; you can redistribute it and/or modify
-  it under the terms of the GNU General Public License as published by
-  the Free Software Foundation; either version 3 of the License, or
-  (at your option) any later version.
-
-  Mantid is distributed in the hope that it will be useful,
-  but WITHOUT ANY WARRANTY; without even the implied warranty of
-  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-  GNU General Public License for more details.
-
-  You should have received a copy of the GNU General Public License
-  along with this program.  If not, see <http://www.gnu.org/licenses/>.
-
-  File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
-  Code Documentation is available at: <http://doxygen.mantidproject.org>
- */
-struct DLLExport TUnit
-{
-  V3D PtA;           ///< Init Point
-  V3D PtB;           ///< Exit Point
-  double Dist;         ///< Total distance from track begin
-  double Length;       ///< Total distance Distance  [at end]
-  int ObjID;           ///< ObjectID
-
-  TUnit(const Geometry::V3D& A,const Geometry::V3D& B,const double D,const int ID);
-
-  /// Less than operator
-  int operator<(const TUnit& A) const
-    { return Dist<A.Dist; }
-
-  /// Less than operator
-  int operator<(const double& A) const
-    { return Dist<A; }
-};
-
-/*!
-  Ordering for TPartial is special since we need
-  that when dist is close that the +/- flag is taken into
-  account.
- */
-struct TPartial
-{
-  int ObjID;           ///< ObjectID
-  int Direction;            ///< Flag direction
-  V3D PtA;             ///< Point
-  double Dist;         ///< Total distance from track begin
-
-  TPartial(const int ID,const int flag,const Geometry::V3D& PVec,const double D);
-
-  int operator<(const TPartial& A) const;
-};
-
-/*!
-  \class Track
-  \version 1.0
-  \author S. Ansell
-  \brief Order List of track units.
- */
-class DLLExport Track
-{
- public:
-  typedef std::vector<TUnit> LType;       ///< Type for the Link storage
-  typedef std::vector<TPartial> PType;    ///< Type for the partial
-
- private:
-  static Kernel::Logger& PLog;           ///< The official logger
-
-  Geometry::V3D iPt;                ///< Start Point
-  Geometry::V3D uVec;               ///< unit vector to direction
-  int iObj;                         ///< Initial object
-  LType Link;                       ///< Track units
-  PType surfPoints;                 ///< Track units
-
- public:
-
-  Track(const Geometry::V3D& StartPt,const Geometry::V3D& UV,const int initObj=0);
-  Track(const Track&);
-  Track& operator=(const Track&);
-  ~Track();
-
-  void addPoint(const int ID,const int Direct,const Geometry::V3D& Pt);
-  int addTUnit(const int ID,const Geometry::V3D& Apt,const Geometry::V3D& Bpt,
-	       const double D);
-
-  void removeCoJoins();
-  void buildLink();
-
-  // get/set
-  void setFirst(const Geometry::V3D&,const Geometry::V3D&);
-  const Geometry::V3D& getInit() const { return iPt; }         ///< Get the start point
-  const Geometry::V3D& getUVec() const { return uVec; }        ///< Get the direction
-
-  LType::const_iterator begin() const { return Link.begin(); }   ///< Iterator pointing to start of collection
-  LType::const_iterator end() const { return Link.end(); }       ///< Iterator pointing one-past-the-end of collection