Refs #10135. Using SymmetryOperationFactory in PointGroup-definitions

mantidproject · Sep 10, 2014 · d27e30f · d27e30f
1 parent a0d868a
commit d27e30f
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Showing 3 changed files with 66 additions and 38 deletions.
diff --git a/Code/Mantid/Framework/Geometry/CMakeLists.txt b/Code/Mantid/Framework/Geometry/CMakeLists.txt
@@ -5,13 +5,13 @@ set ( SRC_FILES
 	src/Crystal/IndexingUtils.cpp
 	src/Crystal/NiggliCell.cpp
 	src/Crystal/OrientedLattice.cpp
+        src/Crystal/SymmetryOperation.cpp
+        src/Crystal/SymmetryOperationFactory.cpp
 	src/Crystal/PointGroup.cpp
 	src/Crystal/PointGroupFactory.cpp
 	src/Crystal/ReducedCell.cpp
 	src/Crystal/ReflectionCondition.cpp
 	src/Crystal/ScalarUtils.cpp
-	src/Crystal/SymmetryOperation.cpp
-	src/Crystal/SymmetryOperationFactory.cpp
 	src/Crystal/UnitCell.cpp
 	src/IObjComponent.cpp
 	src/Instrument.cpp
@@ -108,13 +108,13 @@ set ( INC_FILES
 	inc/MantidGeometry/Crystal/IndexingUtils.h
 	inc/MantidGeometry/Crystal/NiggliCell.h
 	inc/MantidGeometry/Crystal/OrientedLattice.h
+        inc/MantidGeometry/Crystal/SymmetryOperation.h
+        inc/MantidGeometry/Crystal/SymmetryOperationFactory.h
 	inc/MantidGeometry/Crystal/PointGroup.h
 	inc/MantidGeometry/Crystal/PointGroupFactory.h
 	inc/MantidGeometry/Crystal/ReducedCell.h
 	inc/MantidGeometry/Crystal/ReflectionCondition.h
 	inc/MantidGeometry/Crystal/ScalarUtils.h
-	inc/MantidGeometry/Crystal/SymmetryOperation.h
-	inc/MantidGeometry/Crystal/SymmetryOperationFactory.h
 	inc/MantidGeometry/Crystal/UnitCell.h
 	inc/MantidGeometry/DllConfig.h
 	inc/MantidGeometry/ICompAssembly.h

diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/PointGroup.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/PointGroup.cpp
@@ -3,8 +3,10 @@
 
 #include <set>
 #include <boost/make_shared.hpp>
+#include <iostream>
 
 #include "MantidGeometry/Crystal/PointGroupFactory.h"
+#include "MantidGeometry/Crystal/SymmetryOperationFactory.h"
 
 namespace Mantid
 {
@@ -160,7 +162,7 @@ namespace Geometry
   PointGroupLaue1::PointGroupLaue1() :
       PointGroup("-1")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -187,8 +189,8 @@ namespace Geometry
   PointGroupLaue2::PointGroupLaue2() :
       PointGroup("2/m")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldY>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneY>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [010]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [010]"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -215,8 +217,8 @@ namespace Geometry
   PointGroupLaue3::PointGroupLaue3() :
       PointGroup("112/m")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldZ>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneZ>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [001]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [001]"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -243,9 +245,9 @@ namespace Geometry
   PointGroupLaue4::PointGroupLaue4() :
       PointGroup("mmm")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldX>());
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldY>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneZ>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [100]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [010]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [001]"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -274,8 +276,8 @@ namespace Geometry
   PointGroupLaue5::PointGroupLaue5() :
       PointGroup("4/m")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationFourFoldZ>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneZ>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("4 [001]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [001]"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -304,9 +306,9 @@ namespace Geometry
   PointGroupLaue6::PointGroupLaue6() :
       PointGroup("4/mmm")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationFourFoldZ>());
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldX>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneZ>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("4 [001]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [001]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [100]"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -338,8 +340,8 @@ namespace Geometry
   PointGroupLaue7::PointGroupLaue7() :
       PointGroup("-3")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationThreeFoldZHexagonal>());
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("3 [001]h"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -367,9 +369,9 @@ namespace Geometry
   PointGroupLaue8::PointGroupLaue8() :
       PointGroup("-3m1")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationThreeFoldZHexagonal>());
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlane210Hexagonal>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("3 [001]h"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [210]h"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -399,9 +401,9 @@ namespace Geometry
   PointGroupLaue9::PointGroupLaue9() :
       PointGroup("-31m")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationThreeFoldZHexagonal>());
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFold210Hexagonal>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("3 [001]h"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [210]h"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -431,8 +433,8 @@ namespace Geometry
   PointGroupLaue10::PointGroupLaue10() :
       PointGroup("6/m")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationSixFoldZHexagonal>());
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("6 [001]h"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -462,9 +464,9 @@ namespace Geometry
   PointGroupLaue11::PointGroupLaue11() :
       PointGroup("6/mmm")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationSixFoldZHexagonal>());
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldXHexagonal>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneZ>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("6 [001]h"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [100]h"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [001]"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -498,10 +500,10 @@ namespace Geometry
   PointGroupLaue12::PointGroupLaue12() :
       PointGroup("m-3")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationThreeFold111>());
-      addSymmetryOperation(boost::make_shared<const SymOpRotationTwoFoldZ>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneY>());
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("3 [111]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("2 [001]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [010]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }
@@ -535,10 +537,10 @@ namespace Geometry
   PointGroupLaue13::PointGroupLaue13() :
       PointGroup("m-3m")
   {
-      addSymmetryOperation(boost::make_shared<const SymOpRotationThreeFold111>());
-      addSymmetryOperation(boost::make_shared<const SymOpRotationFourFoldZ>());
-      addSymmetryOperation(boost::make_shared<const SymOpMirrorPlaneY>());
-      addSymmetryOperation(boost::make_shared<const SymOpInversion>());
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("3 [111]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("4 [001]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("m [010]"));
+      addSymmetryOperation(SymmetryOperationFactory::Instance().createSymOp("-1"));
 
       setTransformationMatrices(generateTransformationMatrices(getSymmetryOperations()));
   }

diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/SymmetryOperation.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/SymmetryOperation.cpp
@@ -73,6 +73,8 @@ SymOpIdentity::SymOpIdentity() :
 
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpIdentity)
+
 /// Inversion
 SymOpInversion::SymOpInversion() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3, true), "-1")
@@ -95,6 +97,8 @@ SymOpRotationTwoFoldX::SymOpRotationTwoFoldX() :
     setMatrixFromArray(rotTwoFoldX);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationTwoFoldX)
+
 /// 2-fold rotation around y-axis
 SymOpRotationTwoFoldY::SymOpRotationTwoFoldY() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3), "2 [010]")
@@ -106,6 +110,8 @@ SymOpRotationTwoFoldY::SymOpRotationTwoFoldY() :
     setMatrixFromArray(rotTwoFoldY);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationTwoFoldY)
+
 /// 2-fold rotation around z-axis
 SymOpRotationTwoFoldZ::SymOpRotationTwoFoldZ() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3), "2 [001]")
@@ -117,6 +123,8 @@ SymOpRotationTwoFoldZ::SymOpRotationTwoFoldZ() :
     setMatrixFromArray(rotTwoFoldZ);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationTwoFoldZ)
+
 /// 2-fold rotation around x-axis, hexagonal coordinate system
 SymOpRotationTwoFoldXHexagonal::SymOpRotationTwoFoldXHexagonal() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3), "2 [100]h")
@@ -128,6 +136,8 @@ SymOpRotationTwoFoldXHexagonal::SymOpRotationTwoFoldXHexagonal() :
     setMatrixFromArray(rotTwoFoldXHexagonal);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationTwoFoldXHexagonal)
+
 /// 2-fold rotation around [210]-axis, hexagonal coordinate system
 SymOpRotationTwoFold210Hexagonal::SymOpRotationTwoFold210Hexagonal() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3), "2 [210]h")
@@ -139,6 +149,8 @@ SymOpRotationTwoFold210Hexagonal::SymOpRotationTwoFold210Hexagonal() :
     setMatrixFromArray(rotTwoFold210Hexagonal);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationTwoFold210Hexagonal)
+
 /* 4-fold rotation axes */
 /// 4-fold rotation around z-axis
 SymOpRotationFourFoldZ::SymOpRotationFourFoldZ() :
@@ -151,6 +163,8 @@ SymOpRotationFourFoldZ::SymOpRotationFourFoldZ() :
     setMatrixFromArray(rotFourFoldZ);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationFourFoldZ)
+
 /* 3-fold rotation axes */
 /// 3-fold rotation around z-axis, hexagonal coordinate system
 SymOpRotationThreeFoldZHexagonal::SymOpRotationThreeFoldZHexagonal() :
@@ -163,6 +177,8 @@ SymOpRotationThreeFoldZHexagonal::SymOpRotationThreeFoldZHexagonal() :
     setMatrixFromArray(rotThreeFoldZHexagonal);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationThreeFoldZHexagonal)
+
 /// 3-fold rotation around [111]-axis
 SymOpRotationThreeFold111::SymOpRotationThreeFold111() :
     SymmetryOperation(3, Kernel::IntMatrix(3, 3), "3 [111]")
@@ -174,6 +190,8 @@ SymOpRotationThreeFold111::SymOpRotationThreeFold111() :
     setMatrixFromArray(rotThreeFold111);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationThreeFold111)
+
 /* 6-fold rotation axes */
 /// 6-fold rotation around z-axis, hexagonal coordinate system
 SymOpRotationSixFoldZHexagonal::SymOpRotationSixFoldZHexagonal() :
@@ -186,6 +204,8 @@ SymOpRotationSixFoldZHexagonal::SymOpRotationSixFoldZHexagonal() :
     setMatrixFromArray(rotSixFoldZHexagonal);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpRotationSixFoldZHexagonal)
+
 /* Mirror planes */
 /// Mirror plane perpendicular to y-axis
 SymOpMirrorPlaneY::SymOpMirrorPlaneY() :
@@ -198,6 +218,8 @@ SymOpMirrorPlaneY::SymOpMirrorPlaneY() :
     setMatrixFromArray(mirrorPlaneY);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpMirrorPlaneY)
+
 /// Mirror plane perpendicular to z-axis
 SymOpMirrorPlaneZ::SymOpMirrorPlaneZ() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3), "m [001]")
@@ -209,6 +231,8 @@ SymOpMirrorPlaneZ::SymOpMirrorPlaneZ() :
     setMatrixFromArray(mirrorPlaneZ);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpMirrorPlaneZ)
+
 /// Mirror plane perpendicular to [210]-axis
 SymOpMirrorPlane210Hexagonal::SymOpMirrorPlane210Hexagonal() :
     SymmetryOperation(2, Kernel::IntMatrix(3, 3), "m [210]h")
@@ -220,5 +244,7 @@ SymOpMirrorPlane210Hexagonal::SymOpMirrorPlane210Hexagonal() :
     setMatrixFromArray(mirrorPlane210Hexagonal);
 }
 
+DECLARE_SYMMETRY_OPERATION(SymOpMirrorPlane210Hexagonal)
+
 } // namespace Geometry
 } // namespace Mantid