BornAgain
1.19.0
Simulate and fit neutron and x-ray scattering at grazing incidence
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A crystal structure, defined by a Bravais lattice, a basis, and a position variance. More...
Public Member Functions | |
Crystal (const IParticle &basis, const Lattice3D &lattice, double position_variance=0) | |
~Crystal () | |
void | accept (INodeVisitor *visitor) const final |
Calls the INodeVisitor's visit method. More... | |
Crystal * | clone () const final |
Returns a clone of this ISampleNode object. More... | |
std::vector< const Material * > | containedMaterials () const |
Returns set of unique materials contained in this ISampleNode. More... | |
int | copyNumber (const INode *node) const |
Returns copyNumber of child, which takes into account existence of children with same name. More... | |
ParameterPool * | createParameterTree () const |
Creates new parameter pool, with all local parameters and those of its children. More... | |
IFormFactor * | createTotalFormFactor (const IFormFactor &meso_crystal_form_factor, const IRotation *p_rotation, const kvector_t &translation) const |
std::string | displayName () const |
Returns display name, composed from the name of node and it's copy number. More... | |
std::vector< const INode * > | getChildren () const final |
Returns a vector of children. More... | |
const std::string & | getName () const |
std::vector< HomogeneousRegion > | homogeneousRegions () const |
bool | isMagnetic () const |
Returns true if there is any magnetic material in this ISampleNode. More... | |
virtual const Material * | material () const |
Returns nullptr, unless overwritten to return a specific material. More... | |
virtual void | onChange () |
Action to be taken in inherited class when a parameter has changed. More... | |
RealParameter * | parameter (const std::string &name) const |
Returns parameter with given 'name'. More... | |
ParameterPool * | parameterPool () const |
Returns pointer to the parameter pool. More... | |
std::string | parametersToString () const |
Returns multiline string representing available parameters. More... | |
INode * | parent () |
const INode * | parent () const |
std::vector< const INode * > | progeny () const |
Returns a vector of all descendants. More... | |
void | registerChild (INode *node) |
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 | removeParameter (const std::string &name) |
void | removeVector (const std::string &base_name) |
void | setName (const std::string &name) |
void | setParameterValue (const std::string &name, double value) |
virtual void | setParent (const INode *newParent) |
void | setVectorValue (const std::string &base_name, kvector_t value) |
virtual void | transferToCPP () |
Used for Python overriding of clone (see swig/tweaks.py) More... | |
Lattice3D | transformedLattice (const IRotation *p_rotation=nullptr) const |
virtual std::string | treeToString () const |
Returns multiline string representing tree structure below the node. More... | |
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_basis, const Lattice3D &lattice, double position_variance=0) | |
Private Attributes | |
std::unique_ptr< IParticle > | m_basis |
Lattice3D | m_lattice |
std::string | m_name |
const INode * | m_parent {nullptr} |
std::unique_ptr< ParameterPool > | m_pool |
parameter pool (kind of pointer-to-implementation) More... | |
const double | m_position_variance |
A crystal structure, defined by a Bravais lattice, a basis, and a position variance.
The basis is either a Particle or a ParticleComposition.
Computations are delegated to class FormFactorCrystal.
Used in MesoCrystal, where it is given an outer shape.
Crystal::Crystal | ( | const IParticle & | basis, |
const Lattice3D & | lattice, | ||
double | position_variance = 0 |
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Definition at line 23 of file Crystal.cpp.
References IParticle::clone(), m_basis, m_lattice, INode::registerChild(), and IParametricComponent::setName().
Referenced by clone().
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Definition at line 33 of file Crystal.cpp.
References m_basis, m_lattice, INode::registerChild(), and IParametricComponent::setName().
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inlinefinalvirtual |
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finalvirtual |
Returns a clone of this ISampleNode object.
Implements ISampleNode.
Definition at line 44 of file Crystal.cpp.
References Crystal(), m_basis, m_lattice, and m_position_variance.
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inherited |
Returns set of unique materials contained in this ISampleNode.
Definition at line 26 of file ISampleNode.cpp.
References INode::getChildren(), and ISampleNode::material().
Referenced by MultiLayerUtils::ContainsCompatibleMaterials(), SampleToPython::initLabels(), and ISampleNode::isMagnetic().
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inherited |
Returns copyNumber of child, which takes into account existence of children with same name.
Definition at line 94 of file INode.cpp.
References INode::getChildren(), IParametricComponent::getName(), and INode::parent().
Referenced by INode::displayName().
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virtualinherited |
Creates new parameter pool, with all local parameters and those of its children.
Reimplemented from IParametricComponent.
Definition at line 126 of file INode.cpp.
References NodeUtils::nodePath(), INode::parent(), and INode::progeny().
Referenced by ISimulation::runSimulation(), DepthProbeSimulation::validateParametrization(), OffSpecularSimulation::validateParametrization(), and SpecularSimulation::validateParametrization().
IFormFactor * Crystal::createTotalFormFactor | ( | const IFormFactor & | meso_crystal_form_factor, |
const IRotation * | p_rotation, | ||
const kvector_t & | translation | ||
) | const |
Definition at line 49 of file Crystal.cpp.
References m_basis, m_position_variance, and transformedLattice().
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inherited |
Returns display name, composed from the name of node and it's copy number.
Definition at line 115 of file INode.cpp.
References INode::copyNumber(), IParametricComponent::getName(), and INode::m_parent.
Referenced by NodeUtils::nodePath().
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Definition at line 70 of file IParametricComponent.h.
References IParametricComponent::m_name.
Referenced by Beam::Beam(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), IDetector::IDetector(), Instrument::Instrument(), IParametricComponent::IParametricComponent(), SampleBuilderNode::SampleBuilderNode(), Layer::clone(), INode::copyNumber(), IParametricComponent::createParameterTree(), IFormFactor::createSlicedFormFactor(), SampleToPython::defineInterferenceFunctions(), INode::displayName(), Beam::operator=(), SampleBuilderNode::operator=(), GUIObjectBuilder::populateInstrumentModel(), PyImportAssistant::populateModels(), GUIDomainSampleVisitor::populateSampleModel(), IParametricComponent::registerParameter(), IFormFactor::sliceFormFactor(), and GUIDomainSampleVisitor::visit().
std::vector< HomogeneousRegion > Crystal::homogeneousRegions | ( | ) | const |
Definition at line 63 of file Crystal.cpp.
References m_basis, m_lattice, and Lattice3D::unitCellVolume().
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inherited |
Returns true if there is any magnetic material in this ISampleNode.
Definition at line 40 of file ISampleNode.cpp.
References ISampleNode::containedMaterials().
Referenced by ProcessedSample::initLayouts().
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Returns nullptr, unless overwritten to return a specific material.
Reimplemented in Particle, and Layer.
Definition at line 37 of file ISampleNode.h.
Referenced by ISampleNode::containedMaterials(), FormFactorCoreShell::setAmbientMaterial(), FormFactorCrystal::setAmbientMaterial(), FormFactorWeighted::setAmbientMaterial(), FormFactorDecoratorMaterial::setAmbientMaterial(), IFormFactorDecorator::setAmbientMaterial(), and FormFactorDecoratorMaterial::setMaterial().
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inlinevirtualinherited |
Action to be taken in inherited class when a parameter has changed.
Reimplemented in IProfileRipple, Lattice3D, InterferenceFunction3DLattice, InterferenceFunction2DLattice, 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, and Lattice2D.
Definition at line 59 of file IParametricComponent.h.
Referenced by Lattice2D::onChange(), and IParametricComponent::registerParameter().
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Returns parameter with given 'name'.
Definition at line 86 of file IParametricComponent.cpp.
References IParametricComponent::m_pool, and RealSpace::Particles::name().
Referenced by DepthProbeSimulation::initialize(), SpecularSimulation::initialize(), Lattice3D::initialize(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), IParticle::registerPosition(), Layer::registerThickness(), Lattice2D::setRotationEnabled(), and DistributionLogNormal::setUnits().
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Returns pointer to the parameter pool.
Definition at line 39 of file IParametricComponent.h.
References IParametricComponent::m_pool.
Referenced by INode::INode(), IParametricComponent::IParametricComponent(), pyfmt2::argumentList(), SampleBuilderNode::borrow_builder_parameters(), SampleBuilderNode::reset(), and IDistribution1D::setUnits().
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inherited |
Returns multiline string representing available parameters.
Definition at line 43 of file IParametricComponent.cpp.
References IParametricComponent::createParameterTree().
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inherited |
Definition at line 89 of file INode.cpp.
References INode::m_parent.
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Definition at line 84 of file INode.cpp.
References INode::m_parent.
Referenced by INode::copyNumber(), INode::createParameterTree(), ParticleDistribution::generateParticles(), NodeUtils::nodePath(), Lattice2D::onChange(), SampleProvider::setBuilder(), SampleProvider::setParent(), and SampleProvider::setSample().
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Returns a vector of all descendants.
Definition at line 68 of file INode.cpp.
References INode::getChildren().
Referenced by INode::createParameterTree(), and ParticleDistribution::generateParticles().
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Definition at line 57 of file INode.cpp.
References ASSERT, and INode::setParent().
Referenced by Beam::Beam(), Crystal(), IDetector::IDetector(), Instrument::Instrument(), InterferenceFunction2DLattice::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), Particle::Particle(), ParticleDistribution::ParticleDistribution(), ParticleLayout::addAndRegisterAbstractParticle(), ParticleCoreShell::addAndRegisterCore(), MultiLayer::addAndRegisterInterface(), MultiLayer::addAndRegisterLayer(), ParticleCoreShell::addAndRegisterShell(), Layer::addLayout(), ParticleComposition::addParticlePointer(), ISimulation::initialize(), MesoCrystal::initialize(), Beam::operator=(), Instrument::operator=(), IParticle::rotate(), ParticleLayout::setAndRegisterInterferenceFunction(), ISimulation::setBackground(), InterferenceFunction1DLattice::setDecayFunction(), InterferenceFunction2DLattice::setDecayFunction(), Instrument::setDetector(), IDetector::setDetectorResolution(), Beam::setFootprintFactor(), Particle::setFormFactor(), InterferenceFunctionFinite3DLattice::setLattice(), InterferenceFunctionRadialParaCrystal::setProbabilityDistribution(), InterferenceFunction2DParaCrystal::setProbabilityDistributions(), ConvolutionDetectorResolution::setResolutionFunction(), IParticle::setRotation(), LayerInterface::setRoughness(), and InterferenceFunction2DSuperLattice::setSubstructureIFF().
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Definition at line 51 of file IParametricComponent.cpp.
References IParametricComponent::getName(), IParametricComponent::m_pool, RealSpace::Particles::name(), and IParametricComponent::onChange().
Referenced by BasicLattice2D::BasicLattice2D(), Beam::Beam(), CylindersInBABuilder::CylindersInBABuilder(), DetectionProperties::DetectionProperties(), HexagonalLattice2D::HexagonalLattice2D(), IInterferenceFunction::IInterferenceFunction(), INode::INode(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), Lattice2D::Lattice2D(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleDistribution::ParticleDistribution(), PlainMultiLayerBySLDBuilder::PlainMultiLayerBySLDBuilder(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), ResonatorBuilder::ResonatorBuilder(), SquareLattice2D::SquareLattice2D(), TriangularRippleBuilder::TriangularRippleBuilder(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParametricComponent::registerVector(), ParticleLayout::registerWeight(), and Lattice2D::setRotationEnabled().
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Definition at line 57 of file IParametricComponent.cpp.
References ModelView::Utils::base_name(), IParametricComponent::registerParameter(), RealParameter::setUnit(), IParametricComponent::XComponentName(), IParametricComponent::YComponentName(), and IParametricComponent::ZComponentName().
Referenced by Beam::Beam(), DetectionProperties::DetectionProperties(), InterferenceFunctionTwin::InterferenceFunctionTwin(), MultiLayer::MultiLayer(), Lattice3D::initialize(), and IParticle::registerPosition().
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Definition at line 91 of file IParametricComponent.cpp.
References IParametricComponent::m_pool, and RealSpace::Particles::name().
Referenced by IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParametricComponent::removeVector(), and Lattice2D::setRotationEnabled().
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Definition at line 96 of file IParametricComponent.cpp.
References ModelView::Utils::base_name(), IParametricComponent::removeParameter(), IParametricComponent::XComponentName(), IParametricComponent::YComponentName(), and IParametricComponent::ZComponentName().
Referenced by IParticle::registerPosition().
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Definition at line 69 of file IParametricComponent.h.
References IParametricComponent::m_name, and RealSpace::Particles::name().
Referenced by BasicLattice2D::BasicLattice2D(), Beam::Beam(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), Crystal(), DetectionProperties::DetectionProperties(), DistributionHandler::DistributionHandler(), FormFactorCoreShell::FormFactorCoreShell(), FormFactorCrystal::FormFactorCrystal(), FormFactorDecoratorMaterial::FormFactorDecoratorMaterial(), FormFactorDecoratorPositionFactor::FormFactorDecoratorPositionFactor(), FormFactorDecoratorRotation::FormFactorDecoratorRotation(), FormFactorWeighted::FormFactorWeighted(), HexagonalLattice2D::HexagonalLattice2D(), IDetector::IDetector(), 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(), Lattice3D::Lattice3D(), Layer::Layer(), LayerInterface::LayerInterface(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleCoreShell::ParticleCoreShell(), ParticleDistribution::ParticleDistribution(), ParticleLayout::ParticleLayout(), RectangularDetector::RectangularDetector(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), SampleBuilderNode::SampleBuilderNode(), SphericalDetector::SphericalDetector(), SquareLattice2D::SquareLattice2D(), Layer::clone(), LayersWithAbsorptionBuilder::createSampleByIndex(), Basic2DParaCrystalBuilder::createSampleByIndex(), ParticleInVacuumBuilder::createSampleByIndex(), SimpleMagneticRotationBuilder::createSampleByIndex(), DepthProbeSimulation::initialize(), GISASSimulation::initialize(), OffSpecularSimulation::initialize(), SpecularSimulation::initialize(), SpecularDetector1D::initialize(), MesoCrystal::initialize(), Particle::initialize(), ParticleComposition::initialize(), Beam::operator=(), SampleBuilderNode::operator=(), SampleBuilderNode::reset(), and SampleBuilderNode::setSBN().
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Definition at line 65 of file IParametricComponent.cpp.
References IParametricComponent::createParameterTree(), IParametricComponent::m_pool, RealSpace::Particles::name(), and ParameterPool::setMatchedParametersValue().
Referenced by AsymRippleBuilder::buildSample(), and IParametricComponent::setVectorValue().
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virtualinherited |
Reimplemented in SampleProvider.
Definition at line 79 of file INode.cpp.
References INode::m_parent.
Referenced by INode::registerChild(), SampleProvider::setBuilder(), and SampleProvider::setParent().
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Definition at line 78 of file IParametricComponent.cpp.
References ModelView::Utils::base_name(), IParametricComponent::setParameterValue(), BasicVector3D< T >::x(), IParametricComponent::XComponentName(), BasicVector3D< T >::y(), IParametricComponent::YComponentName(), BasicVector3D< T >::z(), and IParametricComponent::ZComponentName().
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inlinevirtualinherited |
Used for Python overriding of clone (see swig/tweaks.py)
Definition at line 34 of file ICloneable.h.
Definition at line 81 of file Crystal.cpp.
References IRotation::getTransform3D(), m_lattice, and Lattice3D::transformed().
Referenced by createTotalFormFactor(), and GUIDomainSampleVisitor::visit().
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Returns multiline string representing tree structure below the node.
Definition at line 52 of file INode.cpp.
References NodeUtils::nodeToString().
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Definition at line 103 of file IParametricComponent.cpp.
References ModelView::Utils::base_name().
Referenced by Lattice3D::initialize(), IParticle::registerPosition(), IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().
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Definition at line 108 of file IParametricComponent.cpp.
References ModelView::Utils::base_name().
Referenced by IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().
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Definition at line 113 of file IParametricComponent.cpp.
References ModelView::Utils::base_name().
Referenced by IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().
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Definition at line 58 of file Crystal.h.
Referenced by Crystal(), clone(), createTotalFormFactor(), getChildren(), and homogeneousRegions().
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Definition at line 57 of file Crystal.h.
Referenced by Crystal(), clone(), getChildren(), homogeneousRegions(), and transformedLattice().
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Definition at line 73 of file IParametricComponent.h.
Referenced by IParametricComponent::getName(), and IParametricComponent::setName().
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protectedinherited |
Definition at line 88 of file INode.h.
Referenced by INode::INode().
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Definition at line 89 of file INode.h.
Referenced by INode::INode(), and IFootprintFactor::setWidthRatio().
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Definition at line 83 of file INode.h.
Referenced by INode::displayName(), INode::parent(), and INode::setParent().
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parameter pool (kind of pointer-to-implementation)
Definition at line 74 of file IParametricComponent.h.
Referenced by IParametricComponent::createParameterTree(), IParametricComponent::parameter(), IParametricComponent::parameterPool(), IParametricComponent::registerParameter(), IParametricComponent::removeParameter(), and IParametricComponent::setParameterValue().
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Definition at line 59 of file Crystal.h.
Referenced by clone(), and createTotalFormFactor().