Sample class now stores the sample geometry. Updated CreateSampleShape...

Sample class now stores the sample geometry. Updated CreateSampleShape algorithm to use this and added accompanying test. Re #451

Code/Mantid/API/inc/MantidAPI/Sample.h

@@ -5,6 +5,7 @@
 // Includes
 //----------------------------------------------------------------------
 #include "MantidKernel/PropertyManager.h"
+#include "MantidGeometry/Object.h"
 
 namespace Mantid
 {
@@ -53,6 +54,9 @@ public:
   void setProtonCharge( const double &charge);
   const double& getProtonCharge() const;
 
+  void setGeometry(boost::shared_ptr<Geometry::Object> sample_shape);
+  boost::shared_ptr<Geometry::Object> getGeometry() const;
+
 private:
   /// Private copy constructor. NO COPY ALLOWED!
   Sample(const Sample&);
@@ -65,6 +69,8 @@ private:
   Kernel::PropertyManager m_manager;
   /// The good proton charge for this run in uA.hour
   double m_protonCharge;
+  /// The sample shape object
+  boost::shared_ptr<Geometry::Object> m_sample_shape;
 };
 
 } // namespace API

Code/Mantid/API/src/MatrixWorkspace.cpp

@@ -209,6 +209,7 @@ void MatrixWorkspace::newSample()
     sptr_sample.reset(new Sample);
     sptr_sample->setProtonCharge(old_sample->getProtonCharge());
     sptr_sample->setName(old_sample->getName());
+    sptr_sample->setGeometry(old_sample->getGeometry());
 }
 
 /** Create new empty instrument parameter map

Code/Mantid/API/src/Sample.cpp

@@ -10,7 +10,7 @@ namespace API
 
 /// Constructor
 Sample::Sample() :
-  m_name(), m_manager(), m_protonCharge(0.0)
+  m_name(), m_manager(), m_protonCharge(0.0), m_sample_shape()
 {
 }
 
@@ -77,5 +77,24 @@ const double& Sample::getProtonCharge() const
   return m_protonCharge;
 }
 
+/**
+ * Set the object that describes the sample shape
+ * @param sample_shape The shape object
+ */
+void Sample::setGeometry(boost::shared_ptr<Geometry::Object> sample_shape)
+{
+  m_sample_shape = sample_shape;
+}
+
+/**
+ * Get a pointer to the sample shape object
+ * @returns A shared pointer to the sample object
+ */
+boost::shared_ptr<Geometry::Object> Sample::getGeometry() const
+{
+  return m_sample_shape;
+}
+
+
 } // namespace API
 } // namespace Mantid

Code/Mantid/DataHandling/src/CreateSampleShape.cpp

@@ -4,31 +4,30 @@
 #include "MantidDataHandling/CreateSampleShape.h"
 #include "MantidGeometry/ShapeFactory.h"
 #include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/Sample.h"
 
 namespace Mantid
 {
 namespace DataHandling
 {
   // Register the algorithm into the AlgorithmFactory
-  //  DECLARE_ALGORITHM(CreateSampleShape)
+  DECLARE_ALGORITHM(CreateSampleShape)
 }
 }
 
 using namespace Mantid::DataHandling;
+using namespace Mantid::API;
 
 // Get a reference to the logger. It is used to print out information, warning and error messages
 Mantid::Kernel::Logger& CreateSampleShape::g_log = Mantid::Kernel::Logger::get("CreateSampleShape");
 
-
-
 /**
  * Initialize the algorithm
  */
 void CreateSampleShape::init()
 {
   using namespace Mantid::Kernel;
-  using namespace Mantid::API;
-  declareProperty(new WorkspaceProperty<MatrixWorkspace>("Workspace","",Direction::Input));
+  declareProperty(new WorkspaceProperty<MatrixWorkspace>("InputWorkspace","",Direction::Input));
   declareProperty("ShapeXML","",new MandatoryValidator<std::string>());
 }
 
@@ -36,7 +35,14 @@ void CreateSampleShape::init()
  * Execute the algorithm
  */
 void CreateSampleShape::exec()
-{
-  
+{  
+  // Get the input workspace
+  const MatrixWorkspace_sptr workspace = getProperty("InputWorkspace");
+  // Get the XML definition
+  std::string shapeXML = getProperty("ShapeXML");
+  Geometry::ShapeFactory sFactory;
+  boost::shared_ptr<Geometry::Object> shape_sptr = sFactory.createShape(shapeXML);
+
+  workspace->getSample()->setGeometry(shape_sptr);
 }
 

Code/Mantid/DataHandling/test/CreateSampleShapeTest.h

+#ifndef CREATESAMPLESHAPETEST_H_
+#define CREATESAMPLESHAPETEST_H_
+
+//---------------------------------------
+// Includes
+//---------------------------------------
+#include <cxxtest/TestSuite.h>
+
+#include "MantidDataHandling/CreateSampleShape.h"
+#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/AnalysisDataService.h"
+#include "MantidAPI/Sample.h"
+#include "MantidGeometry/Object.h"
+#include "../../Algorithms/test/WorkspaceCreationHelper.hh"
+
+using namespace Mantid::DataHandling;
+
+class CreateSampleShapeTest : public CxxTest::TestSuite
+{
+  
+public:
+  
+  void testSphere()
+  {
+    std::string sphere = 
+      "<sphere id=\"some-sphere\">"
+      "<centre x=\"0.0\"  y=\"0.0\" z=\"0.0\" />"
+      "<radius val=\"1.0\" />"
+      "</sphere>";
+
+    /// Test passes point inside sphere
+    runTest(sphere, 0.5, 0.5, 0.5, true);
+    /// Test fails for point outside sphere
+    runTest(sphere, 5, 5, 5, false);
+  }
+
+  void testCompositeObject()
+  {
+    //This is a ball with a cylinder carved out of the middle
+    std::string xmldef = 
+      "<cylinder id=\"stick\">"
+      "<centre-of-bottom-base x=\"-0.5\" y=\"0.0\" z=\"0.0\" />"
+      "<axis x=\"1.0\" y=\"0.0\" z=\"0.0\" />" 
+      "<radius val=\"0.05\" />"
+      "<height val=\"1.0\" />"
+      "</cylinder>"
+      "<sphere id=\"some-sphere\">"
+      "<centre x=\"0.0\"  y=\"0.0\" z=\"0.0\" />"
+      "<radius val=\"0.5\" />"
+      "</sphere>"
+      "<algebra val=\"some-sphere (# stick)\" />";
+    
+    //Inside object
+    runTest(xmldef, 0.0, 0.25, 0.25, true);
+    //Outside object
+    runTest(xmldef, 0.0, 0.0, 0.0, false);
+  }
+  
+
+  void runTest(std::string xmlShape, double x, double y , double z, bool inside)
+  {
+    //Need a test workspace
+    Mantid::API::AnalysisDataService::Instance().add("TestWorkspace", WorkspaceCreationHelper::Create2DWorkspace123(10,22,1));
+    
+
+    CreateSampleShape alg;
+    TS_ASSERT_THROWS_NOTHING(alg.initialize());
+    TS_ASSERT( alg.isInitialized() );
+
+    alg.setPropertyValue("InputWorkspace", "TestWorkspace");
+    alg.setPropertyValue("shapeXML", xmlShape);
+
+    TS_ASSERT_THROWS_NOTHING( alg.execute() );
+
+    //Get the created object
+    Mantid::API::MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(Mantid::API::AnalysisDataService::Instance().retrieve("TestWorkspace"));
+    
+    boost::shared_ptr<Mantid::Geometry::Object> sample = ws->getSample()->getGeometry();
+    Mantid::Geometry::V3D point(x,y,z);
+    
+    if( inside )
+    {
+      TS_ASSERT_EQUALS( sample->isValid(point), 1); 
+    }
+    else
+    {
+      TS_ASSERT_EQUALS( sample->isValid(point), 0); 
+    }
+
+    TS_ASSERT_THROWS_NOTHING( Mantid::API::AnalysisDataService::Instance().remove("TestWorkspace") );
+  }
+
+};
+
+#endif