diff --git a/Code/Mantid/Framework/Geometry/CMakeLists.txt b/Code/Mantid/Framework/Geometry/CMakeLists.txt
index cdcd19d898d5add04c36c036f7b8f36447edb85a..e4aa2703bb51ad9c3601eb449e574f234789e323 100644
--- 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
index 98b9d3837de098d0900f3e879a9de2abeb421860..8da40298559eba328551bbc021ae1190c261afe4 100644
--- 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
index 7204bea2baa187f25d9d4bc841eec1a42bdcde10..a6c55926dec17a4a66e810443fc1a91992cbba1b 100644
--- 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