BornAgain
1.18.0
Simulate and fit neutron and x-ray scattering at grazing incidence
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Public Member Functions | |
Crystal (const IParticle &lattice_basis, const Lattice &lattice) | |
~Crystal () | |
Crystal * | clone () const override final |
void | accept (INodeVisitor *visitor) const override final |
IFormFactor * | createTotalFormFactor (const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const override final |
std::vector< HomogeneousRegion > | homogeneousRegions () const override final |
Lattice | transformedLattice (const IRotation *p_rotation=nullptr) const |
void | setPositionVariance (double position_variance) |
std::vector< const INode * > | getChildren () const override final |
virtual const Material * | material () const |
std::vector< const Material * > | containedMaterials () const |
virtual void | transferToCPP () |
virtual std::string | treeToString () const |
void | registerChild (INode *node) |
virtual void | setParent (const INode *newParent) |
const INode * | parent () const |
INode * | parent () |
int | copyNumber (const INode *node) const |
std::string | displayName () const |
ParameterPool * | createParameterTree () const |
ParameterPool * | parameterPool () const |
std::string | parametersToString () const |
RealParameter & | registerParameter (const std::string &name, double *parpointer) |
void | registerVector (const std::string &base_name, kvector_t *p_vec, const std::string &units="nm") |
void | setParameterValue (const std::string &name, double value) |
void | setVectorValue (const std::string &base_name, kvector_t value) |
RealParameter * | parameter (const std::string &name) const |
virtual void | onChange () |
void | removeParameter (const std::string &name) |
void | removeVector (const std::string &base_name) |
void | setName (const std::string &name) |
const std::string & | getName () const |
Static Public Member Functions | |
static std::string | XComponentName (const std::string &base_name) |
static std::string | YComponentName (const std::string &base_name) |
static std::string | ZComponentName (const std::string &base_name) |
Protected Attributes | |
const size_t | m_NP |
std::vector< double > | m_P |
Private Member Functions | |
Crystal (IParticle *p_lattice_basis, const Lattice &lattice) | |
Private Attributes | |
Lattice | m_lattice |
std::unique_ptr< IParticle > | mp_lattice_basis |
double | m_position_variance |
const INode * | m_parent {nullptr} |
std::string | m_name |
std::unique_ptr< ParameterPool > | m_pool |
A crystal structure with a ParticleComposition as a basis.
Used in MesoCrystal, where it is given an outer shape.
Definition at line 21 of file Crystal.cpp.
References IParticle::clone(), m_lattice, mp_lattice_basis, INode::registerChild(), and IParameterized::setName().
Referenced by clone().
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default |
Definition at line 85 of file Crystal.cpp.
References m_lattice, mp_lattice_basis, INode::registerChild(), and IParameterized::setName().
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finaloverridevirtual |
Returns a clone of this ISample object.
Implements IClusteredParticles.
Definition at line 33 of file Crystal.cpp.
References Crystal(), m_lattice, m_position_variance, mp_lattice_basis, and setPositionVariance().
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inlinefinaloverridevirtual |
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finaloverridevirtual |
Creates a total form factor for the mesocrystal with a specific shape and content The bulk content of the mesocrystal is encapsulated by the IClusteredParticles object itself.
Implements IClusteredParticles.
Definition at line 40 of file Crystal.cpp.
References m_position_variance, mp_lattice_basis, and transformedLattice().
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finaloverridevirtual |
Creates region information with volumetric densities instead of absolute volume These densities need to be multiplied by the total mesocrystal volume.
Implements IClusteredParticles.
Definition at line 54 of file Crystal.cpp.
References m_lattice, mp_lattice_basis, and Lattice::volume().
Definition at line 72 of file Crystal.cpp.
References Lattice::createTransformedLattice(), IRotation::getTransform3D(), and m_lattice.
Referenced by createTotalFormFactor().
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inline |
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finaloverridevirtual |
Returns a vector of children (const).
Reimplemented from INode.
Definition at line 80 of file Crystal.cpp.
References m_lattice, and mp_lattice_basis.
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inlinevirtualinherited |
Returns nullptr, unless overwritten to return a specific material.
Reimplemented in Particle, and Layer.
Definition at line 37 of file ISample.h.
Referenced by ISample::containedMaterials(), FormFactorCrystal::setAmbientMaterial(), FormFactorBAPol::setAmbientMaterial(), FormFactorDecoratorMaterial::setAmbientMaterial(), FormFactorDWBA::setAmbientMaterial(), FormFactorDWBAPol::setAmbientMaterial(), IFormFactorDecorator::setAmbientMaterial(), FormFactorCoreShell::setAmbientMaterial(), FormFactorWeighted::setAmbientMaterial(), and FormFactorDecoratorMaterial::setMaterial().
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inherited |
Returns set of unique materials contained in this ISample.
Definition at line 23 of file ISample.cpp.
References INode::getChildren(), and ISample::material().
Referenced by MultiLayerUtils::ContainsCompatibleMaterials(), anonymous_namespace{ProcessedSample.cpp}::ContainsMagneticMaterial(), and SampleToPython::initLabels().
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inlinevirtualinherited |
Used for Python overriding of clone (see swig/tweaks.py)
Definition at line 34 of file ICloneable.h.
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virtualinherited |
Returns multiline string representing tree structure below the node.
Definition at line 53 of file INode.cpp.
References NodeUtils::nodeToString().
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inherited |
Definition at line 58 of file INode.cpp.
References ASSERT, and INode::setParent().
Referenced by ParticleLayout::addAndRegisterAbstractParticle(), ParticleCoreShell::addAndRegisterCore(), MultiLayer::addAndRegisterInterface(), MultiLayer::addAndRegisterLayer(), ParticleCoreShell::addAndRegisterShell(), Layer::addLayout(), ParticleComposition::addParticlePointer(), Beam::Beam(), Crystal(), IDetector::IDetector(), Simulation::initialize(), MesoCrystal::initialize(), Instrument::Instrument(), Beam::operator=(), Instrument::operator=(), Particle::Particle(), ParticleDistribution::ParticleDistribution(), IParticle::rotate(), ParticleLayout::setAndRegisterInterferenceFunction(), Simulation::setBackground(), InterferenceFunction1DLattice::setDecayFunction(), InterferenceFunction2DLattice::setDecayFunction(), Instrument::setDetector(), IDetector::setDetectorResolution(), Beam::setFootprintFactor(), Particle::setFormFactor(), InterferenceFunctionFinite3DLattice::setLattice(), InterferenceFunction2DLattice::setLattice(), InterferenceFunction2DParaCrystal::setLattice(), InterferenceFunction2DSuperLattice::setLattice(), InterferenceFunctionFinite2DLattice::setLattice(), InterferenceFunctionRadialParaCrystal::setProbabilityDistribution(), InterferenceFunction2DParaCrystal::setProbabilityDistributions(), ConvolutionDetectorResolution::setResolutionFunction(), IParticle::setRotation(), LayerInterface::setRoughness(), and InterferenceFunction2DSuperLattice::setSubstructureIFF().
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virtualinherited |
Reimplemented in SampleProvider.
Definition at line 69 of file INode.cpp.
References INode::m_parent.
Referenced by INode::registerChild(), SampleProvider::setBuilder(), and SampleProvider::setParent().
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inherited |
Definition at line 74 of file INode.cpp.
References INode::m_parent.
Referenced by INode::copyNumber(), INode::createParameterTree(), NodeUtils::nodePath(), Lattice2D::onChange(), SampleProvider::setBuilder(), SampleProvider::setParent(), and SampleProvider::setSample().
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inherited |
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inherited |
Returns copyNumber of child, which takes into account existence of children with same name.
Definition at line 84 of file INode.cpp.
References INode::getChildren(), IParameterized::getName(), and INode::parent().
Referenced by INode::displayName().
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inherited |
Returns display name, composed from the name of node and it's copy number.
Definition at line 105 of file INode.cpp.
References INode::copyNumber(), IParameterized::getName(), and INode::m_parent.
Referenced by NodeUtils::nodePath(), and anonymous_namespace{NodeUtils.cpp}::nodeString().
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virtualinherited |
Creates new parameter pool, with all local parameters and those of its children.
Reimplemented from IParameterized.
Definition at line 116 of file INode.cpp.
References ParameterPool::copyToExternalPool(), NodeIterator< Strategy >::first(), NodeIterator< Strategy >::getCurrent(), NodeIterator< Strategy >::isDone(), NodeIterator< Strategy >::next(), NodeUtils::nodePath(), IParameterized::parameterPool(), and INode::parent().
Referenced by ParticleDistribution::generateParticles(), Simulation::runSimulation(), DepthProbeSimulation::validateParametrization(), OffSpecSimulation::validateParametrization(), and SpecularSimulation::validateParametrization().
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inlineinherited |
Returns pointer to the parameter pool.
Definition at line 38 of file IParameterized.h.
References IParameterized::m_pool.
Referenced by pyfmt2::argumentList(), SampleBuilderNode::borrow_builder_parameters(), INode::createParameterTree(), INode::INode(), IParameterized::IParameterized(), anonymous_namespace{NodeUtils.cpp}::poolToString(), SampleBuilderNode::reset(), and IDistribution1D::setUnits().
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inherited |
Returns multiline string representing available parameters.
Definition at line 40 of file IParameterized.cpp.
References IParameterized::createParameterTree().
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inherited |
Definition at line 48 of file IParameterized.cpp.
References IParameterized::getName(), IParameterized::m_pool, and IParameterized::onChange().
Referenced by BasicLattice::BasicLattice(), Beam::Beam(), CylindersInBABuilder::CylindersInBABuilder(), DetectionProperties::DetectionProperties(), HexagonalLattice::HexagonalLattice(), IInterferenceFunction::IInterferenceFunction(), INode::INode(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), Lattice2D::Lattice2D(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleDistribution::ParticleDistribution(), PlainMultiLayerBySLDBuilder::PlainMultiLayerBySLDBuilder(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParameterized::registerVector(), ParticleLayout::registerWeight(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), ResonatorBuilder::ResonatorBuilder(), Lattice2D::setRotationEnabled(), SquareLattice::SquareLattice(), and TriangularRippleBuilder::TriangularRippleBuilder().
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inherited |
Definition at line 54 of file IParameterized.cpp.
References IParameterized::registerParameter(), RealParameter::setUnit(), IParameterized::XComponentName(), IParameterized::YComponentName(), and IParameterized::ZComponentName().
Referenced by Beam::Beam(), DetectionProperties::DetectionProperties(), InterferenceFunctionTwin::InterferenceFunctionTwin(), MultiLayer::MultiLayer(), Lattice::registerBasisVectors(), and IParticle::registerPosition().
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inherited |
Definition at line 62 of file IParameterized.cpp.
References IParameterized::createParameterTree(), IParameterized::m_pool, and ParameterPool::setMatchedParametersValue().
Referenced by AsymRippleBuilder::buildSample(), and IParameterized::setVectorValue().
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inherited |
Definition at line 75 of file IParameterized.cpp.
References IParameterized::setParameterValue(), BasicVector3D< T >::x(), IParameterized::XComponentName(), BasicVector3D< T >::y(), IParameterized::YComponentName(), BasicVector3D< T >::z(), and IParameterized::ZComponentName().
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inherited |
Returns parameter with given 'name'.
Definition at line 83 of file IParameterized.cpp.
References IParameterized::m_pool.
Referenced by DepthProbeSimulation::initialize(), SpecularSimulation::initialize(), IParticle::registerAbundance(), Lattice::registerBasisVectors(), ParticleLayout::registerParticleDensity(), IParticle::registerPosition(), Layer::registerThickness(), Lattice2D::setRotationEnabled(), and DistributionLogNormal::setUnits().
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inlinevirtualinherited |
Action to be taken in inherited class when a parameter has changed.
Reimplemented in IProfileRipple, FormFactorSphereLogNormalRadius, FormFactorSphereGaussianRadius, FormFactorGaussSphere, ISawtoothRipple, ICosineRipple, IProfileRectangularRipple, FormFactorTruncatedSpheroid, FormFactorTruncatedSphere, FormFactorTruncatedCube, FormFactorTetrahedron, FormFactorPyramid, FormFactorPrism6, FormFactorPrism3, FormFactorLongBoxLorentz, FormFactorLongBoxGauss, FormFactorIcosahedron, FormFactorHollowSphere, FormFactorHemiEllipsoid, FormFactorFullSpheroid, FormFactorFullSphere, FormFactorEllipsoidalCylinder, FormFactorDodecahedron, FormFactorCylinder, FormFactorCuboctahedron, FormFactorCone6, FormFactorCone, FormFactorCantellatedCube, FormFactorBox, FormFactorAnisoPyramid, InterferenceFunction3DLattice, InterferenceFunction2DLattice, Lattice, and Lattice2D.
Definition at line 58 of file IParameterized.h.
Referenced by Lattice2D::onChange(), and IParameterized::registerParameter().
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inherited |
Definition at line 88 of file IParameterized.cpp.
References IParameterized::m_pool.
Referenced by IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParameterized::removeVector(), and Lattice2D::setRotationEnabled().
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inherited |
Definition at line 93 of file IParameterized.cpp.
References IParameterized::removeParameter(), IParameterized::XComponentName(), IParameterized::YComponentName(), and IParameterized::ZComponentName().
Referenced by IParticle::registerPosition().
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staticinherited |
Definition at line 100 of file IParameterized.cpp.
Referenced by Lattice::registerBasisVectors(), IParticle::registerPosition(), IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::setVectorValue().
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staticinherited |
Definition at line 105 of file IParameterized.cpp.
Referenced by IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::setVectorValue().
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staticinherited |
Definition at line 110 of file IParameterized.cpp.
Referenced by IParameterized::registerVector(), IParameterized::removeVector(), and IParameterized::setVectorValue().
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inlineinherited |
Definition at line 68 of file IParameterized.h.
References IParameterized::m_name.
Referenced by BasicLattice::BasicLattice(), Beam::Beam(), Layer::clone(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), LayersWithAbsorptionBuilder::createSampleByIndex(), Basic2DParaCrystalBuilder::createSampleByIndex(), ParticleInVacuumBuilder::createSampleByIndex(), SimpleMagneticRotationBuilder::createSampleByIndex(), Crystal(), DetectionProperties::DetectionProperties(), DistributionHandler::DistributionHandler(), FormFactorBAPol::FormFactorBAPol(), FormFactorCoreShell::FormFactorCoreShell(), FormFactorCrystal::FormFactorCrystal(), FormFactorDecoratorMaterial::FormFactorDecoratorMaterial(), FormFactorDecoratorPositionFactor::FormFactorDecoratorPositionFactor(), FormFactorDecoratorRotation::FormFactorDecoratorRotation(), FormFactorDWBA::FormFactorDWBA(), FormFactorDWBAPol::FormFactorDWBAPol(), FormFactorWeighted::FormFactorWeighted(), HexagonalLattice::HexagonalLattice(), IDetector::IDetector(), DepthProbeSimulation::initialize(), GISASSimulation::initialize(), OffSpecSimulation::initialize(), SpecularSimulation::initialize(), SpecularDetector1D::initialize(), MesoCrystal::initialize(), Particle::initialize(), ParticleComposition::initialize(), INode::INode(), Instrument::Instrument(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DLattice::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice(), InterferenceFunction3DLattice::InterferenceFunction3DLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionNone::InterferenceFunctionNone(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), ISampleBuilder::ISampleBuilder(), IsGISAXSDetector::IsGISAXSDetector(), Lattice::Lattice(), Layer::Layer(), LayerInterface::LayerInterface(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), Beam::operator=(), SampleBuilderNode::operator=(), ParticleCoreShell::ParticleCoreShell(), ParticleDistribution::ParticleDistribution(), ParticleLayout::ParticleLayout(), RectangularDetector::RectangularDetector(), SampleBuilderNode::reset(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), SampleBuilderNode::SampleBuilderNode(), SampleBuilderNode::setSBN(), SphericalDetector::SphericalDetector(), and SquareLattice::SquareLattice().
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inlineinherited |
Definition at line 69 of file IParameterized.h.
References IParameterized::m_name.
Referenced by Beam::Beam(), Layer::clone(), IFormFactorBorn::computeSlicingEffects(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), INode::copyNumber(), IParameterized::createParameterTree(), IFormFactor::createSlicedFormFactor(), SampleToPython::defineFormFactors(), SampleToPython::defineInterferenceFunctions(), INode::displayName(), IDetector::IDetector(), Instrument::Instrument(), IParameterized::IParameterized(), Beam::operator=(), SampleBuilderNode::operator=(), anonymous_namespace{ParticleLayout.cpp}::particleDensityIsProvidedByInterference(), IParameterized::registerParameter(), SampleBuilderNode::SampleBuilderNode(), and IFormFactor::sliceFormFactor().
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private |
Definition at line 50 of file Crystal.h.
Referenced by clone(), Crystal(), getChildren(), homogeneousRegions(), and transformedLattice().
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private |
Definition at line 51 of file Crystal.h.
Referenced by clone(), createTotalFormFactor(), Crystal(), getChildren(), and homogeneousRegions().
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private |
Definition at line 52 of file Crystal.h.
Referenced by clone(), createTotalFormFactor(), and setPositionVariance().
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privateinherited |
Definition at line 81 of file INode.h.
Referenced by INode::displayName(), INode::parent(), and INode::setParent().
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protectedinherited |
Definition at line 86 of file INode.h.
Referenced by INode::INode().
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protectedinherited |
Definition at line 87 of file INode.h.
Referenced by INode::INode(), and IFootprintFactor::setWidthRatio().
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privateinherited |
Definition at line 72 of file IParameterized.h.
Referenced by IParameterized::getName(), and IParameterized::setName().
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privateinherited |
parameter pool (kind of pointer-to-implementation)
Definition at line 73 of file IParameterized.h.
Referenced by IParameterized::createParameterTree(), IParameterized::parameter(), IParameterized::parameterPool(), IParameterized::registerParameter(), IParameterized::removeParameter(), and IParameterized::setParameterValue().