Bug fix in passing zero tgeoemtry transformation from the Crystal

App/src/TestMesoCrystal1.cpp

@@ -47,7 +47,6 @@ void TestMesoCrystal1::execute()
     simulation->runSimulation();
     simulation->normalize();
 
-    /*
     OutputData<double> *data = simulation->getIntensityData();
 
     TCanvas *c1 = DrawHelper::createAndRegisterCanvas("sim_meso_crystal",
@@ -69,7 +68,6 @@ void TestMesoCrystal1::execute()
 
     OutputDataIOFactory::writeIntensityData(*data,"test_mesocrystal1.txt");
     delete data;
-    */
 
     delete simulation;
     delete reference;

Core/FormFactors/src/FormFactorCrystal.cpp

@@ -23,6 +23,8 @@ FormFactorCrystal::FormFactorCrystal(
 , m_wavevector_scattering_factor(wavevector_scattering_factor)
 , mp_ambient_material(p_material)
 , m_max_rec_length(0.0)
+, mP_transform(0)
+, mP_inverse_transform(0)
 {
     setName("FormFactorCrystal");
     mp_lattice_basis = p_crystal.createBasis();

Core/PythonAPI/src/PythonModule.cpp

@@ -114,6 +114,7 @@ BOOST_PYTHON_MODULE(libBornAgainCore){
     register_Beam_class();
     register_Bin1D_class();
     register_Bin1DCVector_class();
+    register_ITransform3D_class();
     register_ICloneable_class();
     register_ISample_class();
     register_ICompositeSample_class();
@@ -144,7 +145,6 @@ BOOST_PYTHON_MODULE(libBornAgainCore){
     register_FormFactorSphereGaussianRadius_class();
     register_kvector_t_class();
     register_cvector_t_class();
-    register_ITransform3D_class();
     register_RotateY_3D_class();
     register_RotateZ_3D_class();
     register_IMaterial_class();

Core/Samples/inc/Crystal.h

@@ -44,7 +44,7 @@ public:
         const IFormFactor& meso_crystal_form_factor,
         const IMaterial *p_ambient_material,
         complex_t wavevector_scattering_factor,
-        const Geometry::ITransform3D& transform) const;
+        const Geometry::ITransform3D *transform = 0) const;
 
     Lattice getLattice() const { return m_lattice; }
     LatticeBasis *createBasis() const { return mp_lattice_basis->clone(); }

Core/Samples/inc/IClusteredParticles.h

@@ -60,7 +60,7 @@ public:
            const IFormFactor& meso_crystal_form_factor,
            const IMaterial *p_ambient_material,
            complex_t wavevector_scattering_factor,
-           const Geometry::ITransform3D& transform) const
+           const Geometry::ITransform3D *transform = 0) const
     {
         (void)meso_crystal_form_factor;
         (void)p_ambient_material;

Core/Samples/src/Crystal.cpp

@@ -53,14 +53,14 @@ IFormFactor* Crystal::createTotalFormFactor(
         const IFormFactor& meso_crystal_form_factor,
         const IMaterial *p_ambient_material,
         complex_t wavevector_scattering_factor,
-        const Geometry::ITransform3D& P_transform) const
+        const Geometry::ITransform3D *P_transform) const
 {
     FormFactorCrystal *p_ff_crystal =
         new FormFactorCrystal(*this, meso_crystal_form_factor,
                 p_ambient_material, wavevector_scattering_factor);
-//    if (P_transform.get()) {
-    p_ff_crystal->setTransformation(P_transform);
-//    }
+    if (P_transform) {
+        p_ff_crystal->setTransformation(*P_transform);
+    }
     if (m_dw_factor>0.0) {
         return new FormFactorDecoratorDebyeWaller(p_ff_crystal, m_dw_factor);
     }

Core/Samples/src/MesoCrystal.cpp

@@ -72,7 +72,7 @@ IFormFactor* MesoCrystal::createFormFactor(
 {
     return mp_particle_structure->createTotalFormFactor(
             *mp_meso_form_factor, mp_ambient_material,
-                wavevector_scattering_factor, *mP_transform.get());
+                wavevector_scattering_factor, mP_transform.get());
 }
 
 void MesoCrystal::setSimpleFormFactor(IFormFactor* p_form_factor)

dev-tools/log/perf_history.txt

@@ -288,3 +288,7 @@
 # after removing "alpha_f", "phi_f"
 2013-11-25 15:42:38 | jcnsopc73  | macosx64, 2800 MHz      | 21.978      | 22.9885     | 1.47059     | 740741      | 
 2013-11-25 15:42:46 | jcnsopc73  | macosx64, 2800 MHz      | 22.2222     | 22.7273     | 1.41844     | 800000      | 
+
+# after getting rid of shared_ptr in ITransformation3D
+2013-11-26 17:20:01 | jcnsopc73  | macosx64, 2800 MHz      | 23.8095     | 23.8095     | 1.48148     | 800000      | 
+2013-11-26 17:20:51 | jcnsopc73  | macosx64, 2800 MHz      | 23.5294     | 23.5294     | 1.48148     | 769231      |