MesoCrystalItem Class Reference

Description

Definition at line 30 of file MesoCrystalItem.h.

Inheritance diagram for MesoCrystalItem:

Collaboration diagram for MesoCrystalItem:

Public Member Functions
	MesoCrystalItem (const MaterialItems *materials)
DoubleDescriptor	abundance () const
ItemWithParticles *	basisParticle () const
QVector< ItemWithParticles * >	containedItemsWithParticles () const override
	Return full hierarchical contained items with particles. More...
std::unique_ptr< MesoCrystal >	createMesoCrystal () const
std::unique_ptr< IRotation >	createRotation () const
	nullptr only if "no rotation". Can contain identity! More...
std::unique_ptr< IParticle >	getBasis () const
Lattice3D	getLattice () const
std::unique_ptr< IFormFactor >	getOuterShape () const
SelectionDescriptor< FormFactorItem * >	outerShape () const
R3	position () const
VectorDescriptor	positionVector () const
SelectionDescriptor< RotationItem * >	rotation ()
	Returns selection descriptor for rotation methods. More...
void	serialize (Streamer &s) override
void	setAbundance (double abundance)
void	setBasis (ItemWithParticles *basis)
void	setOuterShape (FormFactorItem *p)
template<typename T >
T *	setOuterShapeType ()
void	setPosition (const R3 &position)
void	setRawDataVectorA (const R3 &vector_a)
void	setRawDataVectorB (const R3 &vector_b)
void	setRawDataVectorC (const R3 &vector_c)
void	setRotation (RotationItem *p)
	nullptr is allowed and sets to "no rotation" More...
VectorDescriptor	vectorA () const
VectorDescriptor	vectorB () const
VectorDescriptor	vectorC () const

Protected Attributes
DoubleProperty	m_abundance
VectorProperty	m_position
SelectionProperty< RotationItem * >	m_rotation

Private Attributes
SelectionProperty< ItemWithParticles * >	m_basisParticle
const MaterialItems *	m_materials
SelectionProperty< FormFactorItem * >	m_outerShape
VectorProperty	m_vectorA
VectorProperty	m_vectorB
VectorProperty	m_vectorC

Constructor & Destructor Documentation

MesoCrystalItem()

MesoCrystalItem::MesoCrystalItem ( const MaterialItems *  materials )

explicit

Definition at line 42 of file MesoCrystalItem.cpp.

    : ItemWithParticles(abundance_tooltip, position_tooltip)
    , m_materials(materials)
{
    m_vectorA.init("First lattice vector", "Coordinates of the first lattice vector",
                   Unit::nanometer, "vectorA");
    m_vectorB.init("Second lattice vector", "Coordinates of the second lattice vector",
                   Unit::nanometer, "vectorB");
    m_vectorC.init("Third lattice vector", "Coordinates of the third lattice vector",
                   Unit::nanometer, "vectorC");
 
    m_outerShape.init<FormFactorItemCatalog>("Outer Shape", "", "outerShape");
    m_basisParticle.init<ItemWithParticlesCatalog>("Basis", "", "basis", materials);
}

References SelectionProperty< T >::init(), VectorProperty::init(), m_basisParticle, m_outerShape, m_vectorA, m_vectorB, m_vectorC, and nanometer.

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Member Function Documentation

abundance()

DoubleDescriptor ItemWithParticles::abundance ( ) const

inherited

Definition at line 32 of file ItemWithParticles.cpp.

{
    return m_abundance;
}

References ItemWithParticles::m_abundance.

Referenced by MesoCrystalForm::MesoCrystalForm(), ParticleCompositionForm::ParticleCompositionForm(), ParticleCoreShellForm::ParticleCoreShellForm(), ParticleForm::ParticleForm(), ParameterTreeBuilder::addParticle(), ParticleItem::createParticle(), ParticleCompositionItem::createParticleComposition(), ParticleCoreShellItem::createParticleCoreShell(), and ItemWithParticles::setAbundance().

basisParticle()

ItemWithParticles * MesoCrystalItem::basisParticle

(

)

const

Definition at line 132 of file MesoCrystalItem.cpp.

{
    return m_basisParticle.get();
}

References SelectionProperty< T >::get(), and m_basisParticle.

Referenced by MesoCrystalForm::MesoCrystalForm(), containedItemsWithParticles(), SampleEditorController::createAndInitParticle(), and MesoCrystalForm::createBasisWidgets().

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containedItemsWithParticles()

QVector< ItemWithParticles * > MesoCrystalItem::containedItemsWithParticles ( ) const

overridevirtual

Return full hierarchical contained items with particles.

For example ParticleCompositionItem contains other items, ParticleItem doesn't.

Implements ItemWithParticles.

Definition at line 172 of file MesoCrystalItem.cpp.

{
    QVector<ItemWithParticles*> result;
    if (basisParticle())
        result << basisParticle() << basisParticle()->containedItemsWithParticles();
    return result;
}

References basisParticle(), and ItemWithParticles::containedItemsWithParticles().

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createMesoCrystal()

std::unique_ptr< MesoCrystal > MesoCrystalItem::createMesoCrystal

(

)

const

Definition at line 70 of file MesoCrystalItem.cpp.

{
    const Lattice3D& lattice = getLattice();
    if (!(lattice.unitCellVolume() > 0.0))
        throw Error("MesoCrystalItem::createMesoCrystal(): "
                    "Lattice volume not strictly positive");
    std::unique_ptr<IParticle> basis = getBasis();
    if (!basis)
        throw Error("MesoCrystalItem::createMesoCrystal(): "
                    "No basis particle defined");
    Crystal crystal(*basis, lattice);
 
    std::unique_ptr<IFormFactor> ff = getOuterShape();
    if (!ff)
        throw Error("MesoCrystalItem::createMesoCrystal(): "
                    "No outer shape defined");
 
    auto result = std::make_unique<MesoCrystal>(crystal, *ff);
    result->setParticlePosition(position());
    if (auto r = createRotation(); r && !r->isIdentity())
        result->setRotation(*r);
 
    return result;
}

References ItemWithParticles::createRotation(), Error, getBasis(), getLattice(), getOuterShape(), and ItemWithParticles::position().

Referenced by RealSpaceMesoCrystal::populateMesoCrystal().

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createRotation()

std::unique_ptr< IRotation > ItemWithParticles::createRotation ( ) const

inherited

nullptr only if "no rotation". Can contain identity!

Definition at line 67 of file ItemWithParticles.cpp.

{
    if (!m_rotation.get())
        return {};
    const auto matrix = m_rotation->rotation();
    return std::unique_ptr<IRotation>(IRotation::createRotation(matrix));
}

References SelectionProperty< T >::get(), ItemWithParticles::m_rotation, and RotationItem::rotation().

Referenced by createMesoCrystal(), ParticleItem::createParticle(), ParticleCompositionItem::createParticleComposition(), and ParticleCoreShellItem::createParticleCoreShell().

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getBasis()

std::unique_ptr< IParticle > MesoCrystalItem::getBasis

(

)

const

Definition at line 100 of file MesoCrystalItem.cpp.

{
    if (auto* p = dynamic_cast<ParticleItem*>(m_basisParticle.get()))
        return p->createParticle();
 
    if (auto* p = dynamic_cast<ParticleCoreShellItem*>(m_basisParticle.get()))
        return p->createParticleCoreShell();
 
    if (auto* p = dynamic_cast<ParticleCompositionItem*>(m_basisParticle.get()))
        return p->createParticleComposition();
 
    if (auto* p = dynamic_cast<MesoCrystalItem*>(m_basisParticle.get()))
        return p->createMesoCrystal();
 
    return {};
}

References SelectionProperty< T >::get(), and m_basisParticle.

Referenced by createMesoCrystal(), and RealSpaceMesoCrystal::populateMesoCrystal().

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getLattice()

Lattice3D MesoCrystalItem::getLattice

(

)

const

Definition at line 95 of file MesoCrystalItem.cpp.

{
    return Lattice3D(m_vectorA, m_vectorB, m_vectorC);
}

References m_vectorA, m_vectorB, and m_vectorC.

Referenced by createMesoCrystal(), and RealSpaceMesoCrystal::populateMesoCrystal().

getOuterShape()

std::unique_ptr< IFormFactor > MesoCrystalItem::getOuterShape

(

)

const

Definition at line 117 of file MesoCrystalItem.cpp.

{
    return m_outerShape->createFormFactor();
}

References FormFactorItem::createFormFactor(), and m_outerShape.

Referenced by createMesoCrystal(), and RealSpaceMesoCrystal::populateMesoCrystal().

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outerShape()

SelectionDescriptor< FormFactorItem * > MesoCrystalItem::outerShape

(

)

const

Definition at line 122 of file MesoCrystalItem.cpp.

{
    return m_outerShape;
}

References m_outerShape.

Referenced by MesoCrystalForm::MesoCrystalForm().

position()

R3 ItemWithParticles::position ( ) const

inherited

Definition at line 42 of file ItemWithParticles.cpp.

{
    return m_position;
}

References ItemWithParticles::m_position.

Referenced by createMesoCrystal(), ParticleItem::createParticle(), ParticleCompositionItem::createParticleComposition(), ParticleCoreShellItem::createParticleCoreShell(), and ItemWithParticles::setPosition().

positionVector()

VectorDescriptor ItemWithParticles::positionVector ( ) const

inherited

Definition at line 52 of file ItemWithParticles.cpp.

{
    return m_position;
}

References ItemWithParticles::m_position.

Referenced by MesoCrystalForm::MesoCrystalForm(), ParticleCompositionForm::ParticleCompositionForm(), ParticleCoreShellForm::ParticleCoreShellForm(), ParticleForm::ParticleForm(), and ParameterTreeBuilder::addParticle().

rotation()

SelectionDescriptor< RotationItem * > ItemWithParticles::rotation ( )

inherited

Returns selection descriptor for rotation methods.

Definition at line 57 of file ItemWithParticles.cpp.

{
    return m_rotation;
}

References ItemWithParticles::m_rotation.

Referenced by MesoCrystalForm::MesoCrystalForm(), ParticleCompositionForm::ParticleCompositionForm(), ParticleCoreShellForm::ParticleCoreShellForm(), ParticleForm::ParticleForm(), and ParameterTreeBuilder::addRotation().

serialize()

void MesoCrystalItem::serialize ( Streamer &  s )

overridevirtual

Implements ItemWithParticles.

Definition at line 57 of file MesoCrystalItem.cpp.

{
    s.assertVersion(0);
    Serialize::rwProperty(s, m_abundance);
    Serialize::rwProperty(s, m_position);
    Serialize::rwSelected<RotationItemCatalog>(s, m_rotation);
    Serialize::rwProperty(s, m_vectorA);
    Serialize::rwProperty(s, m_vectorB);
    Serialize::rwProperty(s, m_vectorC);
    Serialize::rwSelected<FormFactorItemCatalog>(s, m_outerShape);
    Serialize::rwSelected<ItemWithParticlesCatalog>(s, m_basisParticle, m_materials);
}

References Streamer::assertVersion(), ItemWithParticles::m_abundance, m_basisParticle, m_materials, m_outerShape, ItemWithParticles::m_position, ItemWithParticles::m_rotation, m_vectorA, m_vectorB, m_vectorC, and Serialize::rwProperty().

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setAbundance()

void ItemWithParticles::setAbundance ( double  abundance )

inherited

Definition at line 37 of file ItemWithParticles.cpp.

{
    m_abundance.set(abundance);
}

References ItemWithParticles::abundance(), ItemWithParticles::m_abundance, and DoubleProperty::set().

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setBasis()

void MesoCrystalItem::setBasis

(

ItemWithParticles *

basis

)

Definition at line 137 of file MesoCrystalItem.cpp.

{
    m_basisParticle.set(basis);
}

References m_basisParticle, and SelectionProperty< T >::set().

Referenced by SampleEditorController::setMesoCrystalBasis().

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setOuterShape()

void MesoCrystalItem::setOuterShape

(

FormFactorItem *

p

)

Definition at line 127 of file MesoCrystalItem.cpp.

{
    m_outerShape.set(p);
}

References m_outerShape, and SelectionProperty< T >::set().

Referenced by setOuterShapeType().

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setOuterShapeType()

template<typename T >

T * MesoCrystalItem::setOuterShapeType

Definition at line 70 of file MesoCrystalItem.h.

{
    auto* p = new T();
    setOuterShape(p);
    return p;
}

References setOuterShape().

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setPosition()

void ItemWithParticles::setPosition ( const R3 &  position )

inherited

Definition at line 47 of file ItemWithParticles.cpp.

{
    m_position.set(position);
}

References ItemWithParticles::m_position, ItemWithParticles::position(), and VectorProperty::set().

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setRawDataVectorA()

void MesoCrystalItem::setRawDataVectorA

(

const R3 &

vector_a

)

Definition at line 142 of file MesoCrystalItem.cpp.

{
    m_vectorA.set(v);
}

References m_vectorA, and VectorProperty::set().

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setRawDataVectorB()

void MesoCrystalItem::setRawDataVectorB

(

const R3 &

vector_b

)

Definition at line 147 of file MesoCrystalItem.cpp.

{
    m_vectorB.set(v);
}

References m_vectorB, and VectorProperty::set().

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setRawDataVectorC()

void MesoCrystalItem::setRawDataVectorC

(

const R3 &

vector_c

)

Definition at line 152 of file MesoCrystalItem.cpp.

{
    m_vectorC.set(v);
}

References m_vectorC, and VectorProperty::set().

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setRotation()

void ItemWithParticles::setRotation ( RotationItem *  p )

inherited

nullptr is allowed and sets to "no rotation"

Definition at line 62 of file ItemWithParticles.cpp.

{
    m_rotation.set(p);
}

References ItemWithParticles::m_rotation, and SelectionProperty< T >::set().

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vectorA()

VectorDescriptor MesoCrystalItem::vectorA

(

)

const

Definition at line 157 of file MesoCrystalItem.cpp.

{
    return m_vectorA;
}

References m_vectorA.

Referenced by MesoCrystalForm::MesoCrystalForm().

vectorB()

VectorDescriptor MesoCrystalItem::vectorB

(

)

const

Definition at line 162 of file MesoCrystalItem.cpp.

{
    return m_vectorB;
}

References m_vectorB.

Referenced by MesoCrystalForm::MesoCrystalForm().

vectorC()

VectorDescriptor MesoCrystalItem::vectorC

(

)

const

Definition at line 167 of file MesoCrystalItem.cpp.

{
    return m_vectorC;
}

References m_vectorC.

Referenced by MesoCrystalForm::MesoCrystalForm().

Member Data Documentation

m_abundance

DoubleProperty ItemWithParticles::m_abundance

protectedinherited

Definition at line 56 of file ItemWithParticles.h.

Referenced by ItemWithParticles::ItemWithParticles(), ItemWithParticles::abundance(), serialize(), ParticleCompositionItem::serialize(), ParticleCoreShellItem::serialize(), ParticleItem::serialize(), and ItemWithParticles::setAbundance().

m_basisParticle

SelectionProperty<ItemWithParticles*> MesoCrystalItem::m_basisParticle

private

Definition at line 65 of file MesoCrystalItem.h.

Referenced by MesoCrystalItem(), basisParticle(), getBasis(), serialize(), and setBasis().

m_materials

const MaterialItems* MesoCrystalItem::m_materials

private

Definition at line 66 of file MesoCrystalItem.h.

Referenced by serialize().

m_outerShape

SelectionProperty<FormFactorItem*> MesoCrystalItem::m_outerShape

private

Definition at line 64 of file MesoCrystalItem.h.

Referenced by MesoCrystalItem(), getOuterShape(), outerShape(), serialize(), and setOuterShape().

m_position

VectorProperty ItemWithParticles::m_position

protectedinherited

Definition at line 57 of file ItemWithParticles.h.

Referenced by ItemWithParticles::ItemWithParticles(), ItemWithParticles::position(), ItemWithParticles::positionVector(), serialize(), ParticleCompositionItem::serialize(), ParticleCoreShellItem::serialize(), ParticleItem::serialize(), and ItemWithParticles::setPosition().

m_rotation

SelectionProperty<RotationItem*> ItemWithParticles::m_rotation

protectedinherited

Definition at line 58 of file ItemWithParticles.h.

Referenced by ItemWithParticles::ItemWithParticles(), ItemWithParticles::createRotation(), ItemWithParticles::rotation(), serialize(), ParticleCompositionItem::serialize(), ParticleItem::serialize(), and ItemWithParticles::setRotation().

m_vectorA

VectorProperty MesoCrystalItem::m_vectorA

private

Definition at line 61 of file MesoCrystalItem.h.

Referenced by MesoCrystalItem(), getLattice(), serialize(), setRawDataVectorA(), and vectorA().

m_vectorB

VectorProperty MesoCrystalItem::m_vectorB

private

Definition at line 62 of file MesoCrystalItem.h.

Referenced by MesoCrystalItem(), getLattice(), serialize(), setRawDataVectorB(), and vectorB().

m_vectorC

VectorProperty MesoCrystalItem::m_vectorC

private

Definition at line 63 of file MesoCrystalItem.h.

Referenced by MesoCrystalItem(), getLattice(), serialize(), setRawDataVectorC(), and vectorC().

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The documentation for this class was generated from the following files:

• /home/build/builds/o5h8MZZm/0/mlz/bornagain/GUI/Model/Sample/MesoCrystalItem.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/GUI/Model/Sample/MesoCrystalItem.cpp