diff --git a/.cproject b/.cproject
index 98b416ee0f81957e5d5a634ca3135f0d9f213bd0..739e0c0840b1f011badcf81777a9a1e75d4b7af4 100644
--- a/.cproject
+++ b/.cproject
@@ -20,7 +20,7 @@
<folderInfo id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428.834509647" name="/" resourcePath="">
<toolChain id="cdt.managedbuild.toolchain.gnu.macosx.base.329208693" name="cdt.managedbuild.toolchain.gnu.macosx.base" superClass="cdt.managedbuild.toolchain.gnu.macosx.base">
<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.MachO64" id="cdt.managedbuild.target.gnu.platform.macosx.base.35496915" name="Debug Platform" osList="macosx" superClass="cdt.managedbuild.target.gnu.platform.macosx.base"/>
- <builder arguments="" buildPath="${workspace_loc:/BornAgain}" cleanBuildTarget="distclean" command="make" id="cdt.managedbuild.target.gnu.builder.macosx.base.1780058782" incrementalBuildTarget="" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.target.gnu.builder.macosx.base"/>
+ <builder arguments="-C ../BornAgain_cmake_release" buildPath="" cleanBuildTarget="clean" command="make" id="cdt.managedbuild.target.gnu.builder.macosx.base.1780058782" incrementalBuildTarget="all" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.target.gnu.builder.macosx.base"/>
<tool id="cdt.managedbuild.tool.macosx.c.linker.macosx.base.2076947871" name="MacOS X C Linker" superClass="cdt.managedbuild.tool.macosx.c.linker.macosx.base"/>
<tool id="cdt.managedbuild.tool.macosx.cpp.linker.macosx.base.2050732830" name="MacOS X C++ Linker" superClass="cdt.managedbuild.tool.macosx.cpp.linker.macosx.base">
<option id="macosx.cpp.link.option.paths.102310300" name="Library search path (-L)" superClass="macosx.cpp.link.option.paths"/>
@@ -90,7 +90,7 @@
<folderInfo id="cdt.managedbuild.toolchain.gnu.macosx.base.45089428.1343516600." name="/" resourcePath="">
<toolChain id="cdt.managedbuild.toolchain.gnu.macosx.base.443634681" name="cdt.managedbuild.toolchain.gnu.macosx.base" superClass="cdt.managedbuild.toolchain.gnu.macosx.base">
<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.MachO64" id="cdt.managedbuild.target.gnu.platform.macosx.base.966869129" name="Debug Platform" osList="macosx" superClass="cdt.managedbuild.target.gnu.platform.macosx.base"/>
- <builder arguments="-j3" buildPath="${workspace_loc:/BornAgain}" cleanBuildTarget="distclean" command="make" id="cdt.managedbuild.target.gnu.builder.macosx.base.957115956" incrementalBuildTarget="" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.target.gnu.builder.macosx.base">
+ <builder arguments="-C ../BornAgain_cmake_debug VERBOSE=1" buildPath="" cleanBuildTarget="clean" command="make" id="cdt.managedbuild.target.gnu.builder.macosx.base.957115956" incrementalBuildTarget="all" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.target.gnu.builder.macosx.base">
<outputEntries>
<entry flags="VALUE_WORKSPACE_PATH|RESOLVED" kind="outputPath" name=""/>
</outputEntries>
@@ -153,11 +153,9 @@
<configuration configurationName="Default">
<resource resourceType="PROJECT" workspacePath="/BornAgain"/>
</configuration>
- <configuration configurationName="Debug">
- <resource resourceType="PROJECT" workspacePath="/BornAgain"/>
- </configuration>
+ <configuration configurationName="Release"/>
+ <configuration configurationName="Debug"/>
</storageModule>
- <storageModule moduleId="org.eclipse.cdt.make.core.buildtargets"/>
<storageModule moduleId="org.eclipse.cdt.internal.ui.text.commentOwnerProjectMappings"/>
<storageModule moduleId="org.eclipse.cdt.core.LanguageSettingsProviders"/>
<storageModule moduleId="scannerConfiguration">
@@ -175,4 +173,24 @@
<autodiscovery enabled="true" problemReportingEnabled="true" selectedProfileId="org.eclipse.cdt.managedbuilder.core.GCCManagedMakePerProjectProfileCPP"/>
</scannerConfigBuildInfo>
</storageModule>
+ <storageModule moduleId="org.eclipse.cdt.make.core.buildtargets">
+ <buildTargets>
+ <target name="CMake Release" path="" targetID="org.eclipse.cdt.build.MakeTargetBuilder">
+ <buildCommand>cmake</buildCommand>
+ <buildArguments>-E chdir ../BornAgain_cmake_release/ cmake -G "Unix Makefiles" ../BornAgain/ -DCMAKE_BUILD_TYPE=Release</buildArguments>
+ <buildTarget/>
+ <stopOnError>true</stopOnError>
+ <useDefaultCommand>false</useDefaultCommand>
+ <runAllBuilders>true</runAllBuilders>
+ </target>
+ <target name="CMake Debug" path="" targetID="org.eclipse.cdt.build.MakeTargetBuilder">
+ <buildCommand>cmake</buildCommand>
+ <buildArguments>-E chdir ../BornAgain_cmake_debug/ cmake -G "Unix Makefiles" ../BornAgain/ -DCMAKE_BUILD_TYPE=Debug</buildArguments>
+ <buildTarget/>
+ <stopOnError>true</stopOnError>
+ <useDefaultCommand>false</useDefaultCommand>
+ <runAllBuilders>true</runAllBuilders>
+ </target>
+ </buildTargets>
+ </storageModule>
</cproject>
diff --git a/.project b/.project
index 4243e7d63751c49c603d67ecde573a0dd666e08c..2e98a58e2bcd5924e3b1ea0ea466027b6c229ab8 100644
--- a/.project
+++ b/.project
@@ -82,7 +82,7 @@
</natures>
<filteredResources>
<filter>
- <id>1347614538348</id>
+ <id>1379602173960</id>
<name></name>
<type>21</type>
<matcher>
@@ -104,6 +104,14 @@
<id>org.eclipse.ui.ide.multiFilter</id>
<arguments>1.0-name-matches-false-false-*.pri</arguments>
</matcher>
+ <matcher>
+ <id>org.eclipse.ui.ide.multiFilter</id>
+ <arguments>1.0-name-matches-false-false-CMakeLists.txt</arguments>
+ </matcher>
+ <matcher>
+ <id>org.eclipse.ui.ide.multiFilter</id>
+ <arguments>1.0-name-matches-false-false-*.cmake</arguments>
+ </matcher>
</arguments>
</matcher>
</filter>
diff --git a/App/inc/IsGISAXSTools.h b/App/inc/IsGISAXSTools.h
index 6831eaf7611562fc0bdc6ed23efb8d01f5a66108..cd30e4323246825828e581f662f4b220bbe0b8aa 100644
--- a/App/inc/IsGISAXSTools.h
+++ b/App/inc/IsGISAXSTools.h
@@ -157,7 +157,7 @@ public:
static void drawOutputDataComparisonResults(
const OutputData<double>& data,
const OutputData<double>& reference,
- const std::string& name=std::string("noname"),
+ const std::string& name=std::string("no name"),
const std::string& title=std::string("no title"),
double hmin=1.,
double hmax = -1.,
diff --git a/App/src/TestPolarizedMeso.cpp b/App/src/TestPolarizedMeso.cpp
index a295dadd4f1978c8e8cb7a0b800f20f8c4188b7d..f5480caaa2d1e78ab655bd091a3196a5458e66f6 100644
--- a/App/src/TestPolarizedMeso.cpp
+++ b/App/src/TestPolarizedMeso.cpp
@@ -25,9 +25,9 @@
TestPolarizedMeso::TestPolarizedMeso()
: mp_sample(0)
-, m_meso_width(3e+3*Units::nanometer)
+, m_meso_width(2e+3*Units::nanometer)
, m_surface_filling_ratio(0.03)
-, m_meso_size_steps(1e+3*Units::nanometer)
+, m_meso_size_steps(500.0*Units::nanometer)
//, m_sigma_meso_height(10*Units::nanometer)
//, m_sigma_meso_radius(10*Units::nanometer)
, m_lattice_length_a(13.5*Units::nanometer)
@@ -55,11 +55,11 @@ void TestPolarizedMeso::execute()
// calculate scattered intensity from sample
Simulation simulation(mp_options);
simulation.setDetectorParameters(
- 100, 0.0*Units::degree, 2.0*Units::degree, 100,
- 0.0*Units::degree, 2.0*Units::degree);
+ 100, -1.0*Units::degree, 6.5*Units::degree, 100,
+ -1.0*Units::degree, 6.5*Units::degree);
simulation.setBeamParameters(
- 1.0*Units::angstrom, 0.2*Units::degree, 0.0*Units::degree);
- simulation.setBeamIntensity(1e8);
+ 6.0*Units::angstrom, 0.25*Units::degree, 0.0*Units::degree);
+ simulation.setBeamIntensity(1e11);
// Run simulation
simulation.setSample(*mp_sample);
@@ -108,7 +108,7 @@ MultiLayer* TestPolarizedMeso::createSample() const
new InterferenceFunctionNone();
ParticleDecoration particle_decoration;
size_t n_max_phi_rotation_steps = 11;
- size_t n_sizes = 4;
+ size_t n_sizes = 6;
double phi_step = M_PI/4.0/n_max_phi_rotation_steps;
double phi_start = 0.0;
@@ -149,7 +149,7 @@ MesoCrystal* TestPolarizedMeso::createMeso(double a, double c,
kvector_t bas_c = p_lat->getBasisVectorC();
- Particle particle(p_material, new FormFactorBox(cube_size, cube_size, cube_size));
+ Particle particle(p_material, new FormFactorFullSphere(cube_size/2.0));
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/CMakeLists.txt b/CMakeLists.txt
index 1109b2e7d701eff6d232fe20421aca893b7a70be..b8571e037091167b8ee9dbddc41021bf3732959b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -12,7 +12,7 @@ if(NOT BORNAGAIN_PYTHON)
endif()
if(NOT BORNAGAIN_APP)
-# set(BORNAGAIN_APP ON)
+ set(BORNAGAIN_APP ON)
endif()
if(NOT BORNAGAIN_GUI)
diff --git a/Core/Samples/inc/Layer.h b/Core/Samples/inc/Layer.h
index 1b84913516b96ea9c9ef3eda41af8456b19337ed..a55d45bd442807e8989a2aeff291161d60ea7979 100644
--- a/Core/Samples/inc/Layer.h
+++ b/Core/Samples/inc/Layer.h
@@ -71,7 +71,9 @@ public:
virtual const IDecoration* getDecoration() const { return mp_decoration; }
//! Returns true if decoration is present
- virtual bool hasDWBASimulation() const { return (mp_decoration ? true : false); }
+ virtual bool hasDWBASimulation() const {
+ return (mp_decoration ? true : false);
+ }
//! creates and return LayerDWBASimulation in the case of present decoration
virtual LayerDWBASimulation *createDWBASimulation() const;
diff --git a/Core/Samples/src/Layer.cpp b/Core/Samples/src/Layer.cpp
index f38d136e009f14d1c8d11943dfa289c934c212b6..322797eb281497e73765eb66df3b5e71ddc6575d 100644
--- a/Core/Samples/src/Layer.cpp
+++ b/Core/Samples/src/Layer.cpp
@@ -30,7 +30,6 @@ Layer::Layer()
init_parameters();
}
-
Layer::Layer(const IMaterial* material, double thickness, IDecoration *decoration)
: m_thickness(thickness)
, mp_decoration(0)
@@ -51,8 +50,6 @@ Layer::Layer(const IMaterial* material, double thickness, const IDecoration &dec
init_parameters();
}
-
-
Layer::Layer(const Layer& other) : ICompositeSample()
{
mp_material = other.mp_material;
@@ -65,13 +62,11 @@ Layer::Layer(const Layer& other) : ICompositeSample()
init_parameters();
}
-
Layer::~Layer()
{
delete mp_decoration;
}
-
Layer* Layer::cloneInvertB() const
{
Layer *p_clone = new Layer();
@@ -93,7 +88,6 @@ void Layer::init_parameters()
registerParameter("thickness", &m_thickness);
}
-
//! Sets layer thickness in nanometers.
void Layer::setThickness(double thickness)
{
@@ -102,7 +96,6 @@ void Layer::setThickness(double thickness)
m_thickness = thickness;
}
-
//! Sets _material_ of the layer.
void Layer::setMaterial(const IMaterial* material)
{
@@ -111,15 +104,12 @@ void Layer::setMaterial(const IMaterial* material)
mp_material = material;
}
-
void Layer::setMaterial(const IMaterial* material, double thickness)
{
setMaterial(material);
setThickness(thickness);
}
-
-
void Layer::setDecoration(IDecoration *decoration)
{
if( !decoration ) return;
@@ -144,7 +134,6 @@ void Layer::print(std::ostream& ostr) const
ostr << "-->Layer{" << *getMaterial() << "}";
}
-
LayerDWBASimulation *Layer::createDWBASimulation() const
{
if(mp_decoration) {
@@ -153,7 +142,6 @@ LayerDWBASimulation *Layer::createDWBASimulation() const
return 0;
}
-
DiffuseDWBASimulation* Layer::createDiffuseDWBASimulation() const
{
if(!mp_decoration) return 0;
@@ -174,7 +162,9 @@ DiffuseDWBASimulation* Layer::createDiffuseDWBASimulation() const
p_sim->addParticleInfo((*p_diffuse_nps)[j]);
}
delete p_diffuse_nps;
- break; // TODO: remove this break (this necessitates the creation of a phi-averaged mesocrystal class generating only one nanoparticle for diffuse calculations)
+ break; // TODO: remove this break (this necessitates the creation
+ // of a phi-averaged mesocrystal class generating only one
+ // nanoparticle for diffuse calculations)
}
}
if (p_sim->getSize()>0) {