diff --git a/.project b/.project index 2e98a58e2bcd5924e3b1ea0ea466027b6c229ab8..5e1f7bf6146d66bc67ff5b46c623919fe7a42a31 100644 --- a/.project +++ b/.project @@ -82,7 +82,7 @@ </natures> <filteredResources> <filter> - <id>1379602173960</id> + <id>1379938818379</id> <name></name> <type>21</type> <matcher> @@ -112,6 +112,10 @@ <id>org.eclipse.ui.ide.multiFilter</id> <arguments>1.0-name-matches-false-false-*.cmake</arguments> </matcher> + <matcher> + <id>org.eclipse.ui.ide.multiFilter</id> + <arguments>1.0-name-matches-false-false-*.cxx</arguments> + </matcher> </arguments> </matcher> </filter> diff --git a/App/inc/TestPolarizedMeso.h b/App/inc/TestPolarizedMeso.h index 411d4b60c28ccfe9a0416fa168a0bb7593194456..929ea1bc394868636195f4f43dbefa4ad8ed27ec 100644 --- a/App/inc/TestPolarizedMeso.h +++ b/App/inc/TestPolarizedMeso.h @@ -46,7 +46,7 @@ private: double m_lattice_length_a; double m_lattice_length_c; double m_nanoparticle_size; -// double m_sigma_nanoparticle_size; + double m_sigma_nanoparticle_size; // double m_sigma_lattice_length_a; double m_roughness; }; diff --git a/App/src/TestMesoCrystal1.cpp b/App/src/TestMesoCrystal1.cpp index 85c6a977befc481f722204a91f3a13ed923c46bd..69a5f23801be2c441d3e0207182a8716376f2bc2 100644 --- a/App/src/TestMesoCrystal1.cpp +++ b/App/src/TestMesoCrystal1.cpp @@ -59,13 +59,13 @@ void TestMesoCrystal1::execute() Simulation simulation(mp_options); simulation.setSampleBuilder(mp_sample_builder); -// simulation.setDetectorParameters(256, 0.3*Units::degree, 0.073 -// , 256, -0.4*Units::degree, 0.066); + // values as in experimental sample from TestMesoCrystal2 +// simulation.setDetectorParameters( +// 28, 0.0201647, 0.0599528, 28, 0.00010879, 0.0399347); simulation.setDetectorParameters( - 218, 0.0201647, 0.0599528, 218, 0.00010879, 0.0399347); // values as in experimental sample from TestMesoCrystal2 -// simulation.setDetectorParameters(80, -0.025, 0.026, 80 , 0.0, 0.05); - simulation.setDetectorResolutionFunction( - new ResolutionFunction2DSimple(0.00017, 0.00017)); + 150, 0.0, 5.0*Units::degree, 150, 0.0, 5.0*Units::degree); +// simulation.setDetectorResolutionFunction( +// new ResolutionFunction2DSimple(0.00017, 0.00017)); simulation.setBeamParameters( 1.77*Units::angstrom, 0.4*Units::degree, 0.0*Units::degree); simulation.setBeamIntensity(8e12); @@ -73,23 +73,19 @@ void TestMesoCrystal1::execute() ParameterPool *p_param_pool = simulation.createParameterTree(); std::cout << (*p_param_pool) << std::endl; + simulation.runSimulation(); -// double count_before_normalize = simulation.getOutputData()->totalSum(); simulation.normalize(); mp_intensity_output = simulation.getOutputDataClone(); -// double total_count = mp_intensity_output->totalSum(); -// std::cout << "Total count in detector: " << total_count << std::endl; -// std::cout << "Scattered percentage in detector: " << 100*total_count/simulation.getBeam().getIntensity() << std::endl; -// std::cout << "Total count in detector before normalize: " << count_before_normalize << std::endl; - -// IsGISAXSTools::drawLogOutputData(*mp_intensity_output, "c1_test_meso_crystal", "mesocrystal", -// "CONT4 Z", "mesocrystal"); - TCanvas *c1 = DrawHelper::createAndRegisterCanvas("sim_meso_crystal", "mesocrystal", 1024, 768); + + TCanvas *c1 = DrawHelper::createAndRegisterCanvas("sim_meso_crystal", + "mesocrystal", 1024, 768); c1->cd(); gPad->SetLogz(); gPad->SetRightMargin(0.115); gPad->SetLeftMargin(0.13); - TH2D *h2 = IsGISAXSTools::getOutputDataTH2D(*mp_intensity_output, "mesocrystal"); + TH2D *h2 = IsGISAXSTools::getOutputDataTH2D(*mp_intensity_output, + "mesocrystal"); h2->SetTitle(""); h2->SetMinimum(100.); h2->GetXaxis()->SetTitle("#phi_{f}"); @@ -99,34 +95,32 @@ void TestMesoCrystal1::execute() h2->SetMaximum(1e5); h2->Draw("CONT4 Z"); - -// IsGISAXSTools::setMinimum(100.); -// IsGISAXSTools::setMaximum(1e7); -// IsGISAXSTools::drawOutputDataInPad(*mp_intensity_output, "CONT4 Z", "meso"); - - OutputDataIOFactory::writeOutputData(*mp_intensity_output, Utils::FileSystem::GetHomePath()+"./Examples/MesoCrystals/ex01_spheres/mesocrystal.ima"); - - std::string file_name = Utils::FileSystem::GetHomePath()+"Examples/MesoCrystals/ex02_fitspheres/004_230_P144_im_full_phitheta.txt.gz"; - OutputData<double > *real_data = OutputDataIOFactory::getOutputData(file_name); - TCanvas *c2 = DrawHelper::createAndRegisterCanvas("exp_meso_crystal", "mesocrystal", 1024, 768); - c2->cd(); gPad->SetLogz(); - gPad->SetRightMargin(0.115); - gPad->SetLeftMargin(0.13); - - TH2D *h2b = IsGISAXSTools::getOutputDataTH2D(*real_data, "mesocrystal"); - h2b->SetTitle(""); - h2b->SetMinimum(100.); - h2b->SetMaximum(1e5); - h2b->GetXaxis()->SetTitle("#phi_{f}"); - h2b->GetYaxis()->SetTitle("#alpha_{f}"); - h2b->GetXaxis()->SetTitleOffset(0.9); - h2b->GetYaxis()->SetTitleOffset(1.2); - h2b->GetYaxis()->SetRangeUser(0.0,0.039); - h2b->GetXaxis()->SetRangeUser(0.0,0.059); - h2b->Draw("COLZ Z"); - - - +// OutputDataIOFactory::writeOutputData(*mp_intensity_output, +// Utils::FileSystem::GetHomePath() +// + "./Examples/MesoCrystals/ex01_spheres/mesocrystal.ima"); +// +// std::string file_name = Utils::FileSystem::GetHomePath() +// + "Examples/MesoCrystals/ex02_fitspheres/" +// "004_230_P144_im_full_phitheta.txt.gz"; +// OutputData<double > *real_data = +// OutputDataIOFactory::getOutputData(file_name); +// TCanvas *c2 = DrawHelper::createAndRegisterCanvas( +// "exp_meso_crystal", "mesocrystal", 1024, 768); +// c2->cd(); gPad->SetLogz(); +// gPad->SetRightMargin(0.115); +// gPad->SetLeftMargin(0.13); +// +// TH2D *h2b = IsGISAXSTools::getOutputDataTH2D(*real_data, "mesocrystal"); +// h2b->SetTitle(""); +// h2b->SetMinimum(100.); +// h2b->SetMaximum(1e5); +// h2b->GetXaxis()->SetTitle("#phi_{f}"); +// h2b->GetYaxis()->SetTitle("#alpha_{f}"); +// h2b->GetXaxis()->SetTitleOffset(0.9); +// h2b->GetYaxis()->SetTitleOffset(1.2); +// h2b->GetYaxis()->SetRangeUser(0.0,0.039); +// h2b->GetXaxis()->SetRangeUser(0.0,0.059); +// h2b->Draw("COLZ Z"); } /* ************************************************************************* */ @@ -176,7 +170,8 @@ ISample* TestMesoCrystal1::SampleBuilder::buildSample() const double surface_density = m_surface_filling_ratio/M_PI/m_meso_radius/m_meso_radius; // complex_t n_particle(1.0-1.55e-5, 1.37e-6); // data from Artur - complex_t n_particle(1.0-2.84e-5, 4.7e-7); // data from http://henke.lbl.gov/optical_constants/getdb2.html + // data from http://henke.lbl.gov/optical_constants/getdb2.html: + complex_t n_particle(1.0-2.84e-5, 4.7e-7); complex_t avg_n_squared_meso = 0.7886*n_particle*n_particle + 0.2114; complex_t n_avg = std::sqrt(m_surface_filling_ratio*avg_n_squared_meso + @@ -261,7 +256,8 @@ void TestMesoCrystal1::SampleBuilder::init_parameters() registerParameter("roughness", &m_roughness); } -MesoCrystal* TestMesoCrystal1::SampleBuilder::createMesoCrystal(double stacking_radius, complex_t n_particle, +MesoCrystal* TestMesoCrystal1::SampleBuilder::createMesoCrystal( + double stacking_radius, complex_t n_particle, const IFormFactor* p_meso_form_factor) const { const Lattice *p_lat = createLattice(stacking_radius); @@ -273,7 +269,8 @@ MesoCrystal* TestMesoCrystal1::SampleBuilder::createMesoCrystal(double stacking_ const IMaterial *particle_material = MaterialManager::getHomogeneousMaterial("Particle", n_particle); - Particle particle(particle_material, new FormFactorSphereGaussianRadius(m_nanoparticle_radius, m_sigma_nanoparticle_radius)); + Particle particle(particle_material, new FormFactorSphereGaussianRadius( + m_nanoparticle_radius, m_sigma_nanoparticle_radius)); kvector_t position_0 = kvector_t(0.0, 0.0, 0.0); kvector_t position_1 = 1.0/3.0*(2.0*bas_a + bas_b + bas_c); kvector_t position_2 = 1.0/3.0*(bas_a + 2.0*bas_b + 2.0*bas_c); @@ -290,9 +287,11 @@ MesoCrystal* TestMesoCrystal1::SampleBuilder::createMesoCrystal(double stacking_ return new MesoCrystal(npc.clone(), p_meso_form_factor->clone()); } -const Lattice *TestMesoCrystal1::SampleBuilder::createLattice(double stacking_radius) const +const Lattice *TestMesoCrystal1::SampleBuilder::createLattice( + double stacking_radius) const { - Lattice *p_result = new Lattice(Lattice::createTrigonalLattice(stacking_radius*2.0, stacking_radius*2.0*2.3)); + Lattice *p_result = new Lattice(Lattice::createTrigonalLattice( + stacking_radius*2.0, stacking_radius*2.0*2.3)); p_result->setSelectionRule(SimpleSelectionRule(-1, 1, 1, 3)); return p_result; } diff --git a/App/src/TestMesoCrystal2.cpp b/App/src/TestMesoCrystal2.cpp index bed9b62223ff9644adb02d4edf8232cef77e016a..ae6bf16be38d3f59996faa10df3754c0ede1cc52 100644 --- a/App/src/TestMesoCrystal2.cpp +++ b/App/src/TestMesoCrystal2.cpp @@ -121,29 +121,36 @@ void TestMesoCrystal2::draw_results() m_simulation->runSimulation(); m_simulation->normalize(); - IsGISAXSTools::drawOutputDataComparisonResults(*m_simulation->getOutputData(), *m_real_data, "found", "found params", 100, 1e6, 100); + IsGISAXSTools::drawOutputDataComparisonResults( + *m_simulation->getOutputData(), *m_real_data, + "found", "found params", 100, 1e6, 100); TCanvas *c1 = new TCanvas("meso_real_data","meso_real_data",1024, 768); - c1->cd(); gPad->SetLogz(); gPad->SetRightMargin(0.12); gPad->SetLeftMargin(0.125); - TH2D *hist_real = IsGISAXSTools::getOutputDataTH2D(*m_real_data, "real_data"); + c1->cd(); + gPad->SetLogz(); + gPad->SetRightMargin(0.12); + gPad->SetLeftMargin(0.125); + TH2D *hist_real = IsGISAXSTools::getOutputDataTH2D( + *m_real_data, "real_data"); hist_real->SetMinimum(100); hist_real->SetMaximum(1e6); hist_real->GetYaxis()->SetTitleOffset(1.35); hist_real->DrawCopy("CONT4 Z"); TCanvas *c2 = new TCanvas("meso_simul_data","meso_simul_data",1024, 768); - c2->cd(); gPad->SetLogz(); gPad->SetRightMargin(0.12); gPad->SetLeftMargin(0.125); - TH2D *hist_simu = IsGISAXSTools::getOutputDataTH2D(*m_simulation->getOutputData(), "simul_data"); + c2->cd(); + gPad->SetLogz(); + gPad->SetRightMargin(0.12); + gPad->SetLeftMargin(0.125); + TH2D *hist_simu = IsGISAXSTools::getOutputDataTH2D( + *m_simulation->getOutputData(), "simul_data"); hist_simu->SetMinimum(100); hist_simu->SetMaximum(1e6); hist_simu->GetYaxis()->SetTitleOffset(1.35); hist_simu->DrawCopy("CONT4 Z"); - OutputDataIOFactory::writeOutputData(*m_simulation->getOutputData(), "meso_simul.txt"); -// OutputDataIOFactory::writeOutputData(*m_real_data, "meso_real.txt"); -// OutputData<double> *tmp_real = OutputDataIOFactory::getOutputData("meso_real.txt"); -// OutputData<double> *tmp_simul = OutputDataIOFactory::getOutputData("meso_simul.txt"); -// IsGISAXSTools::drawOutputDataComparisonResults(*tmp_real, *tmp_simul, "tmp", "bla bla", 100, 1e6); + OutputDataIOFactory::writeOutputData( + *m_simulation->getOutputData(), "meso_simul.txt"); } diff --git a/App/src/TestPolarizedMeso.cpp b/App/src/TestPolarizedMeso.cpp index f5480caaa2d1e78ab655bd091a3196a5458e66f6..09ae7346db1e5a4493c3dda8e2787fe313f630d6 100644 --- a/App/src/TestPolarizedMeso.cpp +++ b/App/src/TestPolarizedMeso.cpp @@ -33,7 +33,7 @@ TestPolarizedMeso::TestPolarizedMeso() , m_lattice_length_a(13.5*Units::nanometer) , m_lattice_length_c(23.8*Units::nanometer) , m_nanoparticle_size(9.6*Units::nanometer) -//, m_sigma_nanoparticle_size(6.8688e-02*Units::nanometer) +, m_sigma_nanoparticle_size(0.2*Units::nanometer) //, m_sigma_lattice_length_a(2.3596*Units::nanometer) , m_roughness(0.6517*Units::nanometer) { @@ -140,7 +140,7 @@ MultiLayer* TestPolarizedMeso::createSample() const } MesoCrystal* TestPolarizedMeso::createMeso(double a, double c, - const IMaterial *p_material, double cube_size, + const IMaterial *p_material, double size, const IFormFactor* p_meso_form_factor) const { const Lattice *p_lat = createLattice(a, c); @@ -149,7 +149,8 @@ MesoCrystal* TestPolarizedMeso::createMeso(double a, double c, kvector_t bas_c = p_lat->getBasisVectorC(); - Particle particle(p_material, new FormFactorFullSphere(cube_size/2.0)); + Particle particle(p_material, new FormFactorSphereGaussianRadius( + size/2.0, m_sigma_nanoparticle_size) ); kvector_t position_0 = kvector_t(0.0, 0.0, 0.0); kvector_t position_1 = 1.0/2.0*(bas_a + bas_b + bas_c); std::vector<kvector_t> pos_vector; diff --git a/Core/Algorithms/inc/DecoratedLayerDWBASimulation.h b/Core/Algorithms/inc/DecoratedLayerDWBASimulation.h index 978d163e6b0cf0047394addd9c1dd11243ff4093..85f67b53d949312f3427c0c0ec8ea9f37edd2fd8 100644 --- a/Core/Algorithms/inc/DecoratedLayerDWBASimulation.h +++ b/Core/Algorithms/inc/DecoratedLayerDWBASimulation.h @@ -40,8 +40,6 @@ public: virtual void run(); protected: - void runMagnetic(const IInterferenceFunctionStrategy *p_strategy); - Layer *mp_layer; DiffuseDWBASimulation *mp_diffuseDWBA; diff --git a/Core/Algorithms/inc/DiffuseDWBASimulation.h b/Core/Algorithms/inc/DiffuseDWBASimulation.h index ee2a768e0207ce5224f92d5579421bdce638f5af..c22e6a074c95b58247b348040ce3600b153eb552 100644 --- a/Core/Algorithms/inc/DiffuseDWBASimulation.h +++ b/Core/Algorithms/inc/DiffuseDWBASimulation.h @@ -62,7 +62,7 @@ protected: double m_factor; }; void initDiffuseFormFactorTerms( - std::vector<DiffuseFormFactorTerm *>& terms, + SafePointerVector<DiffuseFormFactorTerm>& terms, size_t nbr_heights, size_t samples_per_particle, complex_t wavevector_scattering_factor); }; diff --git a/Core/Algorithms/inc/LayerStrategyBuilder.h b/Core/Algorithms/inc/LayerStrategyBuilder.h index 0cefcbb7323681a06a9b17c190f6c6cf14f47578..717abd05ff54c2979004737d2e254a265587cdf1 100644 --- a/Core/Algorithms/inc/LayerStrategyBuilder.h +++ b/Core/Algorithms/inc/LayerStrategyBuilder.h @@ -70,12 +70,6 @@ private: const ParticleInfo *p_particle_info, const IMaterial *p_ambient_material, complex_t factor) const; - //! Decorates the given formfactor with a scalar dwba formfactor - IFormFactor *createDWBAScalarFormFactor(IFormFactor *p_form_factor, - double depth) const; - //! Decorates the given formfactor with a matrix dwba formfactor - IFormFactor *createDWBAMatrixFormFactor(IFormFactor *p_form_factor, - double depth) const; SafePointerVector<FormFactorInfo> m_ff_infos; SafePointerVector<IInterferenceFunction> m_ifs; diff --git a/Core/Algorithms/src/DecoratedLayerDWBASimulation.cpp b/Core/Algorithms/src/DecoratedLayerDWBASimulation.cpp index 1010c061335bb7eaf0bd33c910f2c8d2c6ea8870..f84dfee703ec2114f0024d36568d8672452b7684 100644 --- a/Core/Algorithms/src/DecoratedLayerDWBASimulation.cpp +++ b/Core/Algorithms/src/DecoratedLayerDWBASimulation.cpp @@ -48,43 +48,10 @@ void DecoratedLayerDWBASimulation::run() boost::scoped_ptr<const IInterferenceFunctionStrategy> P_strategy( createAndInitStrategy()); - if (checkPolarizationPresent()) { - runMagnetic(P_strategy.get()); - return; - } calculateCoherentIntensity(P_strategy.get()); calculateInCoherentIntensity(); } -void DecoratedLayerDWBASimulation::runMagnetic( - const IInterferenceFunctionStrategy *p_strategy) -{ - msglog(MSG::DEBUG) << "LayerDecoratorDWBASimulation::calculateCoh...()"; - double wavelength = getWaveLength(); - double total_surface_density = - mp_layer->getTotalParticleSurfaceDensity(); - - OutputData<Eigen::Matrix2d>::iterator it = mp_polarization_output->begin( - m_thread_info); - while ( it != mp_polarization_output->end(m_thread_info) ) - { - Bin1D phi_bin = mp_polarization_output->getBinOfAxis( - "phi_f", it.getIndex()); - Bin1D alpha_bin = mp_polarization_output->getBinOfAxis( - "alpha_f", it.getIndex()); - double alpha_f = alpha_bin.getMidPoint(); - if (m_sim_params.me_framework==SimulationParameters::DWBA && - alpha_f<0) { - ++it; - continue; - } - Bin1DCVector k_f_bin = getKfBin1_matrix(wavelength, alpha_bin, phi_bin); - *it = p_strategy->evaluatePol(m_ki, k_f_bin, alpha_bin, phi_bin) - * total_surface_density; - ++it; - } -} - IInterferenceFunctionStrategy *DecoratedLayerDWBASimulation::createAndInitStrategy() const { @@ -104,26 +71,53 @@ void DecoratedLayerDWBASimulation::calculateCoherentIntensity( double total_surface_density = mp_layer->getTotalParticleSurfaceDensity(); - cvector_t k_ij = m_ki; - k_ij.setZ(-(complex_t)mp_specular_info->getInCoefficients()->getScalarKz()); - - DWBASimulation::iterator it_intensity = begin(); - while ( it_intensity != end() ) - { - Bin1D phi_bin = getDWBAIntensity().getBinOfAxis( - "phi_f", it_intensity.getIndex()); - Bin1D alpha_bin = getDWBAIntensity().getBinOfAxis( - "alpha_f", it_intensity.getIndex()); - double alpha_f = alpha_bin.getMidPoint(); - if (std::abs(mp_specular_info->getOutCoefficients(alpha_f, 0.0) - ->getScalarR())!=0.0 && alpha_f<0) { + if (checkPolarizationPresent()) { + // matrix dwba calculation + OutputData<Eigen::Matrix2d>::iterator it = + mp_polarization_output->begin(m_thread_info); + while ( it != mp_polarization_output->end(m_thread_info) ) + { + Bin1D phi_bin = mp_polarization_output->getBinOfAxis( + "phi_f", it.getIndex()); + Bin1D alpha_bin = mp_polarization_output->getBinOfAxis( + "alpha_f", it.getIndex()); + double alpha_f = alpha_bin.getMidPoint(); + if (m_sim_params.me_framework==SimulationParameters::DWBA && + alpha_f<0) { + ++it; + continue; + } + Bin1DCVector k_f_bin = getKfBin1_matrix(wavelength, alpha_bin, + phi_bin); + *it = p_strategy->evaluatePol(m_ki, k_f_bin, alpha_bin, phi_bin) + * total_surface_density; + ++it; + } + } + else { + // scalar dwba calculation + cvector_t k_ij = m_ki; + k_ij.setZ(-(complex_t)mp_specular_info->getInCoefficients() + ->getScalarKz()); + + DWBASimulation::iterator it_intensity = begin(); + while ( it_intensity != end() ) + { + Bin1D phi_bin = getDWBAIntensity().getBinOfAxis( + "phi_f", it_intensity.getIndex()); + Bin1D alpha_bin = getDWBAIntensity().getBinOfAxis( + "alpha_f", it_intensity.getIndex()); + double alpha_f = alpha_bin.getMidPoint(); + if (std::abs(mp_specular_info->getOutCoefficients(alpha_f, 0.0) + ->getScalarR())!=0.0 && alpha_f<0) { + ++it_intensity; + continue; + } + Bin1DCVector k_f_bin = getKfBin(wavelength, alpha_bin, phi_bin); + *it_intensity = p_strategy->evaluate(k_ij, k_f_bin, alpha_bin) + * total_surface_density; ++it_intensity; - continue; } - Bin1DCVector k_f_bin = getKfBin(wavelength, alpha_bin, phi_bin); - *it_intensity = p_strategy->evaluate(k_ij, k_f_bin, alpha_bin) - * total_surface_density; - ++it_intensity; } } @@ -134,9 +128,12 @@ void DecoratedLayerDWBASimulation::calculateInCoherentIntensity() mp_diffuseDWBA->setSpecularInfo(*mp_specular_info); mp_diffuseDWBA->setThreadInfo(m_thread_info); mp_diffuseDWBA->run(); - addDWBAIntensity( mp_diffuseDWBA->getDWBAIntensity() ); + if (checkPolarizationPresent()) { + addPolarizedDWBAIntensity( + mp_diffuseDWBA->getPolarizedDWBAIntensity() ); + } + else { + addDWBAIntensity( mp_diffuseDWBA->getDWBAIntensity() ); + } } } - - - diff --git a/Core/Algorithms/src/DiffuseDWBASimulation.cpp b/Core/Algorithms/src/DiffuseDWBASimulation.cpp index a9b2548d99d9f61847b7277906d093d3d88a53bb..b4f890ce54f102dd19fef7633de6d8311a543ebd 100644 --- a/Core/Algorithms/src/DiffuseDWBASimulation.cpp +++ b/Core/Algorithms/src/DiffuseDWBASimulation.cpp @@ -16,6 +16,8 @@ #include "DiffuseDWBASimulation.h" #include "FormFactorDWBAConstZ.h" #include "MessageService.h" +#include "FormFactorTools.h" +#include "MathFunctions.h" //! Carry out one simulation thread. @@ -23,48 +25,90 @@ void DiffuseDWBASimulation::run() { msglog(MSG::DEBUG) << "DiffuseDWBASimulation::run()"; // Set diffuse terms. - std::vector<DiffuseFormFactorTerm*> diffuse_terms; + SafePointerVector<DiffuseFormFactorTerm> diffuse_terms; size_t nbr_heights = 50; size_t samples_per_particle = 9; double wavevector_scattering_factor = M_PI/getWaveLength()/getWaveLength(); initDiffuseFormFactorTerms(diffuse_terms, nbr_heights, samples_per_particle, wavevector_scattering_factor); - cvector_t k_ij = m_ki; + if (checkPolarizationPresent()) { + // matrix dwba calculation + OutputData<Eigen::Matrix2d>::iterator it_intensity = + mp_polarization_output->begin(m_thread_info); + while ( it_intensity != mp_polarization_output->end(m_thread_info) ) + { + Bin1D phi_bin = mp_polarization_output->getBinOfAxis( + "phi_f", it_intensity.getIndex()); + Bin1D alpha_bin = mp_polarization_output->getBinOfAxis( + "alpha_f", it_intensity.getIndex()); + double alpha_f = alpha_bin.getMidPoint(); + if (m_sim_params.me_framework==SimulationParameters::DWBA && + alpha_f<0) { + ++it_intensity; + continue; + } + Bin1DCVector k_f_bin = getKfBin1_matrix(getWaveLength(), alpha_bin, + phi_bin); - k_ij.setZ(-(complex_t)mp_specular_info->getInCoefficients()->getScalarKz()); + Eigen::Matrix2d total_intensity = Eigen::Matrix2d::Zero(); + for (size_t i=0; i<diffuse_terms.size(); ++i) { + DiffuseFormFactorTerm *p_diffuse_term = diffuse_terms[i]; + Eigen::Matrix2cd amplitude = Eigen::Matrix2cd::Zero(); + Eigen::Matrix2d intensity = Eigen::Matrix2d::Zero(); + for (size_t j=0; j<p_diffuse_term->m_form_factors.size(); ++j) { + Eigen::Matrix2cd amp = + p_diffuse_term->m_form_factors[j]->evaluatePol( + m_ki, k_f_bin, alpha_bin, phi_bin); + amplitude += p_diffuse_term->m_probabilities[j] * amp; + intensity += p_diffuse_term->m_probabilities[j] + * MathFunctions::Norm(amp); + } + total_intensity += p_diffuse_term->m_factor + * (intensity - MathFunctions::Norm(amplitude)); + } + *it_intensity = total_intensity; + ++it_intensity; + } + } + else { + // scalar dwba calculation + cvector_t k_ij = m_ki; + k_ij.setZ(-(complex_t)mp_specular_info->getInCoefficients()->getScalarKz()); - for (DWBASimulation::iterator it_intensity = - begin(); it_intensity != end(); ++it_intensity ) { - Bin1D phi_bin = getDWBAIntensity().getBinOfAxis( - "phi_f", it_intensity.getIndex()); - Bin1D alpha_bin = getDWBAIntensity().getBinOfAxis( - "alpha_f", it_intensity.getIndex()); - double alpha_f = alpha_bin.getMidPoint(); - if (alpha_f<0) - continue; - Bin1DCVector k_f_bin = getKfBin(getWaveLength(), alpha_bin, phi_bin); + DWBASimulation::iterator it_intensity = begin(); + while ( it_intensity != end() ) + { + Bin1D phi_bin = getDWBAIntensity().getBinOfAxis( + "phi_f", it_intensity.getIndex()); + Bin1D alpha_bin = getDWBAIntensity().getBinOfAxis( + "alpha_f", it_intensity.getIndex()); + double alpha_f = alpha_bin.getMidPoint(); + if (alpha_f<0) { + ++it_intensity; + continue; + } + Bin1DCVector k_f_bin = getKfBin(getWaveLength(), alpha_bin, phi_bin); - double total_intensity = 0; - for (size_t i=0; i<diffuse_terms.size(); ++i) { - DiffuseFormFactorTerm *p_diffuse_term = diffuse_terms[i]; - complex_t amplitude(0., 0.); - double intensity = 0; - for (size_t j=0; j<p_diffuse_term->m_form_factors.size(); ++j) { - complex_t amp = - p_diffuse_term->m_form_factors[j]->evaluate( - k_ij, k_f_bin, alpha_bin); - amplitude += p_diffuse_term->m_probabilities[j]*amp; - intensity += p_diffuse_term->m_probabilities[j]*std::norm(amp); + double total_intensity = 0; + for (size_t i=0; i<diffuse_terms.size(); ++i) { + DiffuseFormFactorTerm *p_diffuse_term = diffuse_terms[i]; + complex_t amplitude(0., 0.); + double intensity = 0; + for (size_t j=0; j<p_diffuse_term->m_form_factors.size(); ++j) { + complex_t amp = + p_diffuse_term->m_form_factors[j]->evaluate( + k_ij, k_f_bin, alpha_bin); + amplitude += p_diffuse_term->m_probabilities[j]*amp; + intensity += p_diffuse_term->m_probabilities[j]*std::norm(amp); + } + total_intensity += + p_diffuse_term->m_factor * (intensity - std::norm(amplitude)); } - total_intensity += - p_diffuse_term->m_factor * (intensity - std::norm(amplitude)); + *it_intensity = total_intensity; + ++it_intensity; } - *it_intensity = total_intensity; } - - for (size_t i=0; i<diffuse_terms.size(); ++i) - delete diffuse_terms[i]; } //! Initializes vector<DiffuseFormFactorTerm*> term. @@ -76,7 +120,7 @@ void DiffuseDWBASimulation::run() //! - m_form_factors <- vector<FormFactorDWBAConstZ*> //! void DiffuseDWBASimulation::initDiffuseFormFactorTerms( - std::vector<DiffuseFormFactorTerm*>& terms, + SafePointerVector<DiffuseFormFactorTerm>& terms, size_t nbr_heights, size_t samples_per_particle, complex_t wavevector_scattering_factor) { @@ -93,18 +137,24 @@ void DiffuseDWBASimulation::initDiffuseFormFactorTerms( double depth = p_diff_info->getDepth() - j*p_diff_info->getHeightRange()/(nbr_heights-1.0); std::vector<IFormFactor*> form_factors; - p_diff_info->getParticle()->getSimpleFormFactor()->createDistributedFormFactors( - form_factors, p_diffuse_term->m_probabilities, - samples_per_particle); + p_diff_info->getParticle()->getSimpleFormFactor() + ->createDistributedFormFactors( + form_factors, p_diffuse_term->m_probabilities, + samples_per_particle); for (size_t ff_index=0; ff_index<form_factors.size(); ++ff_index) { p_particle->setSimpleFormFactor(form_factors[ff_index]); - IFormFactor *ff_particle = p_particle->createFormFactor( + IFormFactor *p_ff_particle = p_particle->createFormFactor( wavevector_scattering_factor); - FormFactorDWBAConstZ *p_dwba_z = - new FormFactorDWBAConstZ(ff_particle, depth); - p_dwba_z->setSpecularInfo(*mp_specular_info); - - p_diffuse_term->m_form_factors.push_back(p_dwba_z); + IFormFactor *p_dwba_ff(p_ff_particle); + if (checkPolarizationPresent()) { + p_dwba_ff = FormFactorTools::createDWBAMatrixFormFactor( + p_ff_particle, *mp_specular_info, depth); + } + else { + p_dwba_ff = FormFactorTools::createDWBAScalarFormFactor( + p_ff_particle, *mp_specular_info, depth); + } + p_diffuse_term->m_form_factors.push_back(p_dwba_ff); } terms.push_back(p_diffuse_term); } diff --git a/Core/Algorithms/src/LayerStrategyBuilder.cpp b/Core/Algorithms/src/LayerStrategyBuilder.cpp index f25af31d227ac853e6a6cbcf8dc3b6c78c2d636e..a63d238a590dca80ea99962a1fa3b4b1bfe60ecc 100644 --- a/Core/Algorithms/src/LayerStrategyBuilder.cpp +++ b/Core/Algorithms/src/LayerStrategyBuilder.cpp @@ -20,6 +20,7 @@ #include "InterferenceFunctions.h" #include "InterferenceFunctionStrategies.h" #include "FormFactors.h" +#include "FormFactorTools.h" #include "PositionParticleInfo.h" #include <cmath> @@ -163,10 +164,12 @@ FormFactorInfo *LayerStrategyBuilder::createFormFactorInfo( assert(mp_specular_info); double depth = p_particle_info->getDepth(); if (requiresMatrixFFs()) { - p_ff_framework = createDWBAMatrixFormFactor(p_ff_particle, depth); + p_ff_framework = FormFactorTools::createDWBAMatrixFormFactor( + p_ff_particle, *mp_specular_info, depth); } else { - p_ff_framework = createDWBAScalarFormFactor(p_ff_particle, depth); + p_ff_framework = FormFactorTools::createDWBAScalarFormFactor( + p_ff_particle, *mp_specular_info, depth); } break; } @@ -186,29 +189,6 @@ FormFactorInfo *LayerStrategyBuilder::createFormFactorInfo( return p_result; } -IFormFactor* LayerStrategyBuilder::createDWBAScalarFormFactor( - IFormFactor* p_form_factor, double depth) const -{ - FormFactorDWBAConstZ *p_result = - new FormFactorDWBAConstZ(p_form_factor, depth); - p_result->setSpecularInfo(*mp_specular_info); - return p_result; -} - -IFormFactor* LayerStrategyBuilder::createDWBAMatrixFormFactor( - IFormFactor* p_form_factor, double depth) const -{ - FormFactorDWBAPol *p_result(0); - if (depth) { - p_result = new FormFactorDWBAPolConstZ(p_form_factor, depth); - } - else { - p_result = new FormFactorDWBAPol(p_form_factor); - } - p_result->setSpecularInfo(*mp_specular_info); - return p_result; -} - // ============================================================================= // Implementation of FormFactorInfo // ============================================================================= diff --git a/Core/FormFactors/inc/FormFactorTools.h b/Core/FormFactors/inc/FormFactorTools.h new file mode 100644 index 0000000000000000000000000000000000000000..d38a1fdbb47accaaebc2d204e4f3407d92fe2356 --- /dev/null +++ b/Core/FormFactors/inc/FormFactorTools.h @@ -0,0 +1,37 @@ +// ************************************************************************** // +// +// BornAgain: simulate and fit scattering at grazing incidence +// +//! @file FormFactorTools.h +//! @brief Defines global functions that facilitate IFormFactor handling. +//! +//! @homepage http://apps.jcns.fz-juelich.de/BornAgain +//! @license GNU General Public License v3 or higher (see COPYING) +//! @copyright Forschungszentrum Jülich GmbH 2013 +//! @authors Scientific Computing Group at MLZ Garching +//! @authors C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke +// +// ************************************************************************** // + +#ifndef FORMFACTORTOOLS_H_ +#define FORMFACTORTOOLS_H_ + +#include "IFormFactor.h" + +class LayerSpecularInfo; + +namespace FormFactorTools { + +//! Decorates the given formfactor with a scalar dwba formfactor and returns +//! this form factor +IFormFactor* createDWBAScalarFormFactor(IFormFactor* p_form_factor, + const LayerSpecularInfo &specular_info, double depth=0.0); + +//! Decorates the given formfactor with a matrix dwba formfactor and returns +//! this form factor +IFormFactor* createDWBAMatrixFormFactor(IFormFactor* p_form_factor, + const LayerSpecularInfo &specular_info, double depth=0.0); +} + + +#endif /* FORMFACTORTOOLS_H_ */ diff --git a/Core/FormFactors/src/FormFactorTools.cpp b/Core/FormFactors/src/FormFactorTools.cpp new file mode 100644 index 0000000000000000000000000000000000000000..427d89c7d24e4272e34e217b5f4d8e349daea2a2 --- /dev/null +++ b/Core/FormFactors/src/FormFactorTools.cpp @@ -0,0 +1,43 @@ +// ************************************************************************** // +// +// BornAgain: simulate and fit scattering at grazing incidence +// +//! @file FormFactorTools.cpp +//! @brief Defines class . +//! +//! @homepage http://apps.jcns.fz-juelich.de/BornAgain +//! @license GNU General Public License v3 or higher (see COPYING) +//! @copyright Forschungszentrum Jülich GmbH 2013 +//! @authors Scientific Computing Group at MLZ Garching +//! @authors C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke +// +// ************************************************************************** // + +#include "FormFactorTools.h" +#include "FormFactorDWBAConstZ.h" +#include "FormFactorDWBAPolConstZ.h" + +IFormFactor* FormFactorTools::createDWBAScalarFormFactor( + IFormFactor* p_form_factor, const LayerSpecularInfo& specular_info, + double depth) +{ + FormFactorDWBAConstZ *p_result = + new FormFactorDWBAConstZ(p_form_factor, depth); + p_result->setSpecularInfo(specular_info); + return p_result; +} + +IFormFactor* FormFactorTools::createDWBAMatrixFormFactor( + IFormFactor* p_form_factor, const LayerSpecularInfo& specular_info, + double depth) +{ + FormFactorDWBAPol *p_result(0); + if (depth) { + p_result = new FormFactorDWBAPolConstZ(p_form_factor, depth); + } + else { + p_result = new FormFactorDWBAPol(p_form_factor); + } + p_result->setSpecularInfo(specular_info); + return p_result; +} diff --git a/Core/Samples/inc/ParticleInfo.h b/Core/Samples/inc/ParticleInfo.h index 2c6b0edfe6115b36fb971839d722d8342bc263aa..ffdc49eceaee4d847c4e5f5068ccb54e644ddabb 100644 --- a/Core/Samples/inc/ParticleInfo.h +++ b/Core/Samples/inc/ParticleInfo.h @@ -62,6 +62,11 @@ public: //! Sets abundance. void setAbundance(double abundance) { m_abundance = abundance; } + //! Sets the ambient material + void setAmbientMaterial(const IMaterial *p_material) { + mp_particle->setAmbientMaterial(p_material); + } + protected: virtual void init_parameters(); diff --git a/Core/Samples/src/Layer.cpp b/Core/Samples/src/Layer.cpp index 322797eb281497e73765eb66df3b5e71ddc6575d..055a473975c9d17a45e0131a80a3f43ba522304e 100644 --- a/Core/Samples/src/Layer.cpp +++ b/Core/Samples/src/Layer.cpp @@ -149,6 +149,7 @@ DiffuseDWBASimulation* Layer::createDiffuseDWBASimulation() const DiffuseDWBASimulation *p_sim = new DiffuseDWBASimulation; size_t nbr_particles = mp_decoration->getNumberOfParticles(); double particle_density = mp_decoration->getTotalParticleSurfaceDensity(); + const IMaterial *p_layer_material = getMaterial(); for (size_t i=0; i<nbr_particles; ++i) { const ParticleInfo *p_info = mp_decoration->getParticleInfo(i); std::vector<DiffuseParticleInfo *> *p_diffuse_nps = @@ -156,6 +157,7 @@ DiffuseDWBASimulation* Layer::createDiffuseDWBASimulation() const if (p_diffuse_nps) { for (size_t j=0; j<p_diffuse_nps->size(); ++j) { DiffuseParticleInfo *p_diff_info = (*p_diffuse_nps)[j]; + p_diff_info->setAmbientMaterial(p_layer_material); p_diff_info->setNumberPerMeso( particle_density * p_info->getAbundance() * p_diff_info->getNumberPerMeso()); diff --git a/Core/Samples/src/ParticleDecoration.cpp b/Core/Samples/src/ParticleDecoration.cpp index c9da76fa88f7de2ab94074a6fb9a2d93e7d5ad47..56e0b4e251d00fd1f7812a9ad6a9da1b351e6f1a 100644 --- a/Core/Samples/src/ParticleDecoration.cpp +++ b/Core/Samples/src/ParticleDecoration.cpp @@ -178,4 +178,3 @@ void ParticleDecoration::print(std::ostream& ostr) const ostr << "}"; } - diff --git a/XCode_BornAgain.xcodeproj/project.pbxproj b/XCode_BornAgain.xcodeproj/project.pbxproj index c36089ebef961249c94f30d48392b8ee95c28c5a..b9beefd4a9ad1ab07a40f6b57073b8654714d4e4 100644 --- a/XCode_BornAgain.xcodeproj/project.pbxproj +++ b/XCode_BornAgain.xcodeproj/project.pbxproj @@ -270,32 +270,13 @@ 627F631C17941019009E166F 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inc */ = { isa = PBXGroup; children = ( + 62FD5BEB17F057D9007C0397 /* FormFactorTools.h */, 622F80CC17DE1EC50017FC52 /* FormFactorDecoratorMaterial.h */, 6223326017C640BC004CCDAE /* FormFactorDWBAPol.h */, 6223326117C640BC004CCDAE /* FormFactorDWBAPolConstZ.h */, @@ -2761,6 +3219,7 @@ 62222285160CB745008205AC /* src */ = { isa = PBXGroup; children = ( + 62FD5BF917F057E1007C0397 /* FormFactorTools.cpp */, 628D3C1017E0936400299D2E /* FormFactorDecoratorDebyeWaller.cpp */, 628D3C1117E0936400299D2E /* FormFactorDecoratorMultiPositionFactor.cpp */, 622F80DA17DE1ED20017FC52 /* FormFactorDecoratorMaterial.cpp */, @@ -69734,6 +70193,7 @@ 622245E9160CB74C008205AC /* ThirdParty */ = { isa = PBXGroup; children = ( + 62FD5C1117F061E2007C0397 /* RootMinimizers */, 627F63211794120F009E166F /* gtest */, ); path = ThirdParty; @@ -69789,12 +70249,12 @@ 627C3031160B69D7004C1B11 /* libfftw3.3.dylib */, 627F650717942E64009E166F /* libBornAgain.Fit.dylib */, 627F650817942F41009E166F /* 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Fit; + sourceTree = "<group>"; + }; + 62FD5C8317F061E3007C0397 /* Math */ = { + isa = PBXGroup; + children = ( + 62FD5C8417F061E3007C0397 /* Derivator.h */, + 62FD5C8517F061E3007C0397 /* Error.h */, + 62FD5C8617F061E3007C0397 /* Factory.h */, + 62FD5C8717F061E3007C0397 /* FitMethodFunction.h */, + 62FD5C8817F061E3007C0397 /* Functor.h */, + 62FD5C8917F061E3007C0397 /* GSLFunctionAdapter.h */, + 62FD5C8A17F061E3007C0397 /* GSLFunctionWrapper.h */, + 62FD5C8B17F061E3007C0397 /* GSLMinimizer.h */, + 62FD5C8C17F061E3007C0397 /* GSLMinimizer1D.h */, + 62FD5C8D17F061E3007C0397 /* GSLNLSMinimizer.h */, + 62FD5C8E17F061E3007C0397 /* GSLRndmEngines.h */, + 62FD5C8F17F061E3007C0397 /* GSLSimAnMinimizer.h */, + 62FD5C9017F061E3007C0397 /* GSLSimAnnealing.h */, + 62FD5C9117F061E3007C0397 /* GenAlgoOptions.h */, + 62FD5C9217F061E3007C0397 /* IFunction.h */, + 62FD5C9317F061E3007C0397 /* IFunctionfwd.h */, + 62FD5C9417F061E3007C0397 /* IMinimizer1D.h */, + 62FD5C9517F061E3007C0397 /* IOptions.h */, 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AnalyticalGradientCalculator.h */, + 62FD5CA817F061E3007C0397 /* BasicFunctionGradient.h */, + 62FD5CA917F061E3007C0397 /* BasicFunctionMinimum.h */, + 62FD5CAA17F061E3007C0397 /* BasicMinimumError.h */, + 62FD5CAB17F061E3007C0397 /* BasicMinimumParameters.h */, + 62FD5CAC17F061E3007C0397 /* BasicMinimumSeed.h */, + 62FD5CAD17F061E3007C0397 /* BasicMinimumState.h */, + 62FD5CAE17F061E3007C0397 /* CombinedMinimizer.h */, + 62FD5CAF17F061E3007C0397 /* CombinedMinimumBuilder.h */, + 62FD5CB017F061E3007C0397 /* ContoursError.h */, + 62FD5CB117F061E3007C0397 /* DavidonErrorUpdator.h */, + 62FD5CB217F061E3007C0397 /* FCNAdapter.h */, + 62FD5CB317F061E3007C0397 /* FCNBase.h */, + 62FD5CB417F061E3007C0397 /* FCNGradAdapter.h */, + 62FD5CB517F061E3007C0397 /* FCNGradientBase.h */, + 62FD5CB617F061E3007C0397 /* FumiliBuilder.h */, + 62FD5CB717F061E3007C0397 /* FumiliChi2FCN.h */, + 62FD5CB817F061E3007C0397 /* FumiliErrorUpdator.h */, + 62FD5CB917F061E3007C0397 /* FumiliFCNAdapter.h */, + 62FD5CBA17F061E3007C0397 /* FumiliFCNBase.h */, + 62FD5CBB17F061E3007C0397 /* FumiliGradientCalculator.h */, + 62FD5CBC17F061E3007C0397 /* FumiliMaximumLikelihoodFCN.h */, + 62FD5CBD17F061E3007C0397 /* FumiliMinimizer.h */, + 62FD5CBE17F061E3007C0397 /* FumiliStandardChi2FCN.h */, + 62FD5CBF17F061E3007C0397 /* FumiliStandardMaximumLikelihoodFCN.h */, + 62FD5CC017F061E3007C0397 /* FunctionGradient.h */, + 62FD5CC117F061E3007C0397 /* FunctionMinimizer.h */, + 62FD5CC217F061E3007C0397 /* FunctionMinimum.h */, + 62FD5CC317F061E3007C0397 /* GenericFunction.h */, + 62FD5CC417F061E3007C0397 /* GradientCalculator.h */, + 62FD5CC517F061E3007C0397 /* HessianGradientCalculator.h */, + 62FD5CC617F061E3007C0397 /* InitialGradientCalculator.h */, + 62FD5CC717F061E3007C0397 /* LASymMatrix.h */, + 62FD5CC817F061E3007C0397 /* LAVector.h */, + 62FD5CC917F061E3007C0397 /* LaInverse.h */, + 62FD5CCA17F061E3007C0397 /* LaOuterProduct.h */, + 62FD5CCB17F061E3007C0397 /* LaProd.h */, + 62FD5CCC17F061E3007C0397 /* LaSum.h */, + 62FD5CCD17F061E3007C0397 /* MPIProcess.h */, + 62FD5CCE17F061E3007C0397 /* MatrixInverse.h */, + 62FD5CCF17F061E3007C0397 /* MinimumBuilder.h */, + 62FD5CD017F061E3007C0397 /* MinimumError.h */, + 62FD5CD117F061E3007C0397 /* MinimumErrorUpdator.h */, + 62FD5CD217F061E3007C0397 /* MinimumParameters.h */, + 62FD5CD317F061E3007C0397 /* MinimumSeed.h */, + 62FD5CD417F061E3007C0397 /* MinimumSeedGenerator.h */, + 62FD5CD517F061E3007C0397 /* MinimumState.h */, + 62FD5CD617F061E3007C0397 /* MinosError.h */, + 62FD5CD717F061E3007C0397 /* Minuit2Minimizer.h */, + 62FD5CD817F061E3007C0397 /* MinuitParameter.h */, + 62FD5CD917F061E3007C0397 /* MnApplication.h */, + 62FD5CDA17F061E3007C0397 /* MnConfig.h */, + 62FD5CDB17F061E3007C0397 /* MnContours.h */, + 62FD5CDC17F061E3007C0397 /* MnCovarianceSqueeze.h */, + 62FD5CDD17F061E3007C0397 /* MnCross.h */, + 62FD5CDE17F061E3007C0397 /* MnEigen.h */, + 62FD5CDF17F061E3007C0397 /* MnFcn.h */, + 62FD5CE017F061E3007C0397 /* MnFumiliMinimize.h */, + 62FD5CE117F061E3007C0397 /* MnFunctionCross.h */, + 62FD5CE217F061E3007C0397 /* MnGlobalCorrelationCoeff.h */, + 62FD5CE317F061E3007C0397 /* MnHesse.h */, + 62FD5CE417F061E3007C0397 /* MnLineSearch.h */, + 62FD5CE517F061E3007C0397 /* MnMachinePrecision.h */, + 62FD5CE617F061E3007C0397 /* MnMatrix.h */, + 62FD5CE717F061E3007C0397 /* MnMigrad.h */, + 62FD5CE817F061E3007C0397 /* MnMinimize.h */, + 62FD5CE917F061E3007C0397 /* MnMinos.h */, + 62FD5CEA17F061E3007C0397 /* MnParabola.h */, + 62FD5CEB17F061E3007C0397 /* MnParabolaFactory.h */, + 62FD5CEC17F061E3007C0397 /* MnParabolaPoint.h */, + 62FD5CED17F061E3007C0397 /* MnParameterScan.h */, + 62FD5CEE17F061E3007C0397 /* MnPlot.h */, + 62FD5CEF17F061E3007C0397 /* MnPosDef.h */, + 62FD5CF017F061E3007C0397 /* MnPrint.h */, + 62FD5CF117F061E3007C0397 /* MnRefCountedPointer.h */, + 62FD5CF217F061E3007C0397 /* MnReferenceCounter.h */, + 62FD5CF317F061E3007C0397 /* MnScan.h */, + 62FD5CF417F061E3007C0397 /* MnSeedGenerator.h */, + 62FD5CF517F061E3007C0397 /* MnSimplex.h */, + 62FD5CF617F061E3007C0397 /* MnStrategy.h */, + 62FD5CF717F061E3007C0397 /* MnTiny.h */, + 62FD5CF817F061E3007C0397 /* MnUserCovariance.h */, + 62FD5CF917F061E3007C0397 /* MnUserFcn.h */, + 62FD5CFA17F061E3007C0397 /* MnUserParameterState.h */, + 62FD5CFB17F061E3007C0397 /* MnUserParameters.h */, + 62FD5CFC17F061E3007C0397 /* MnUserTransformation.h */, + 62FD5CFD17F061E3007C0397 /* MnVectorTransform.h */, + 62FD5CFE17F061E3007C0397 /* ModularFunctionMinimizer.h */, + 62FD5CFF17F061E3007C0397 /* NegativeG2LineSearch.h */, + 62FD5D0017F061E3007C0397 /* Numerical2PGradientCalculator.h */, + 62FD5D0117F061E3007C0397 /* ParametricFunction.h */, + 62FD5D0217F061E3007C0397 /* ScanBuilder.h */, + 62FD5D0317F061E3007C0397 /* ScanMinimizer.h */, + 62FD5D0417F061E3007C0397 /* SimplexBuilder.h */, + 62FD5D0517F061E3007C0397 /* SimplexMinimizer.h */, + 62FD5D0617F061E3007C0397 /* SimplexParameters.h */, 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CLANG_WARN_EMPTY_BODY = YES; + CLANG_WARN_ENUM_CONVERSION = YES; + CLANG_WARN_INT_CONVERSION = YES; + CLANG_WARN__DUPLICATE_METHOD_MATCH = YES; + COPY_PHASE_STRIP = NO; + EXECUTABLE_PREFIX = lib; + GCC_C_LANGUAGE_STANDARD = gnu99; + GCC_DYNAMIC_NO_PIC = NO; + GCC_ENABLE_OBJC_EXCEPTIONS = YES; + GCC_OPTIMIZATION_LEVEL = 0; + GCC_PREPROCESSOR_DEFINITIONS = ( + MATH_NO_PLUGIN_MANAGER, + HAS_MINUIT2, + R__HAS_MATHMORE, + ); + GCC_SYMBOLS_PRIVATE_EXTERN = NO; + GCC_WARN_64_TO_32_BIT_CONVERSION = YES; + GCC_WARN_ABOUT_RETURN_TYPE = YES; + GCC_WARN_UNINITIALIZED_AUTOS = YES; + GCC_WARN_UNUSED_VARIABLE = YES; + HEADER_SEARCH_PATHS = ( + "${SRCROOT}/ThirdParty/RootMinimizers/inc", + /opt/local/include, + /opt/local/include/root, + ); + LIBRARY_SEARCH_PATHS = ( + "$(inherited)", + "\"$(SRCROOT)/ThirdParty/RootMinimizers\"", + /opt/local/lib, + ); + ONLY_ACTIVE_ARCH = YES; + PRODUCT_NAME = "$(TARGET_NAME)"; + SDKROOT = macosx; + }; + name = Debug; + }; + 62FD5C1017F06186007C0397 /* Release */ = { + isa = XCBuildConfiguration; + buildSettings = { + ALWAYS_SEARCH_USER_PATHS = NO; + CLANG_CXX_LANGUAGE_STANDARD = "gnu++0x"; + CLANG_CXX_LIBRARY = "libc++"; + CLANG_WARN_CONSTANT_CONVERSION = YES; + CLANG_WARN_EMPTY_BODY = YES; + CLANG_WARN_ENUM_CONVERSION = YES; + CLANG_WARN_INT_CONVERSION = YES; + CLANG_WARN__DUPLICATE_METHOD_MATCH = YES; + COPY_PHASE_STRIP = YES; + DEBUG_INFORMATION_FORMAT = "dwarf-with-dsym"; + EXECUTABLE_PREFIX = lib; + GCC_C_LANGUAGE_STANDARD = gnu99; + GCC_ENABLE_OBJC_EXCEPTIONS = YES; + GCC_PREPROCESSOR_DEFINITIONS = ( + MATH_NO_PLUGIN_MANAGER, + HAS_MINUIT2, + R__HAS_MATHMORE, + ); + GCC_WARN_64_TO_32_BIT_CONVERSION = YES; + GCC_WARN_ABOUT_RETURN_TYPE = YES; + GCC_WARN_UNINITIALIZED_AUTOS = YES; + GCC_WARN_UNUSED_VARIABLE = YES; + HEADER_SEARCH_PATHS = ( + "${SRCROOT}/ThirdParty/RootMinimizers/inc", + /opt/local/include, + /opt/local/include/root, + ); + LIBRARY_SEARCH_PATHS = ( + "$(inherited)", + "\"$(SRCROOT)/ThirdParty/RootMinimizers\"", + /opt/local/lib, + ); + PRODUCT_NAME = "$(TARGET_NAME)"; + SDKROOT = macosx; + }; + name = Release; + }; /* End XCBuildConfiguration section */ /* Begin XCConfigurationList section */ @@ -72169,15 +73172,6 @@ defaultConfigurationIsVisible = 0; defaultConfigurationName = Release; }; - 627F649717941708009E166F /* Build configuration list for PBXNativeTarget "RootMathMore" */ = { - isa = XCConfigurationList; - buildConfigurations = ( - 627F649817941708009E166F /* Debug */, - 627F649917941708009E166F /* Release */, - ); - defaultConfigurationIsVisible = 0; - defaultConfigurationName = Release; - }; 627F654F179444B8009E166F /* Build configuration list for PBXNativeTarget "BornAgain.TestFit01" */ = { isa = XCConfigurationList; buildConfigurations = ( @@ -72205,6 +73199,15 @@ defaultConfigurationIsVisible = 0; defaultConfigurationName = Release; }; + 62FD5C0E17F06186007C0397 /* Build configuration list for PBXNativeTarget "BornAgain.RootMinimizers" */ = { + isa = XCConfigurationList; + buildConfigurations = ( + 62FD5C0F17F06186007C0397 /* Debug */, + 62FD5C1017F06186007C0397 /* Release */, + ); + defaultConfigurationIsVisible = 0; + defaultConfigurationName = Release; + }; /* End XCConfigurationList section */ }; rootObject = 627C2C5A160B4937004C1B11 /* Project object */;