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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file GUI/Model/Sample/InterferenceItems.cpp
//! @brief Implements class InterferenceItem and subclasses.
//!
//! @homepage http://www.bornagainproject.org
//! @license GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2021
//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
// ************************************************************************************************
#include "GUI/Model/Sample/InterferenceItems.h"
#include "Base/Const/Units.h"
#include "Sample/Aggregate/Interferences.h"
namespace {
namespace Tag {
const QString PositionVariance("PositionVariance");
const QString Length("Length");
const QString RotationAngle("RotationAngle");
const QString IntegrateOverXi("IntegrateOverXi");
const QString DampingLength("DampingLength");
const QString DomainSize("DomainSize");
const QString DomainSize1("DomainSize1");
const QString DomainSize2("DomainSize2");
const QString Radius("Radius");
const QString Density("Density");
const QString PeakDistance("PeakDistance");
const QString Kappa("Kappa");
const QString DecayFunction("DecayFunction");
const QString LatticeType("LatticeType");
const QString PDF("PDF");
const QString PDF1("PDF1");
const QString PDF2("PDF2");
const QString BaseData("BaseData");
} // namespace Tag
} // namespace
InterferenceItem::InterferenceItem()
{
m_position_variance.init("PositionVariance", "nm^2",
"Variance of the position in each dimension", 0.0, "PositionVariance");
}
void InterferenceItem::writeTo(QXmlStreamWriter* w) const
{
// position variance
m_position_variance.writeTo2(w, Tag::PositionVariance);
}
void InterferenceItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::PositionVariance) {
m_position_variance.readFrom2(r, tag);
} else
r->skipCurrentElement();
}
}
// --------------------------------------------------------------------------------------------- //
Interference1DLatticeItem::Interference1DLatticeItem()
{
m_length.init("Length", "nm", "Lattice length", 20.0, "Length");
m_rotation_angle.init(
"Xi", "deg",
"Rotation of lattice with respect to x-axis of reference frame (beam direction)", 0.0,
"xi");
m_decay_function.simpleInit("Decay Function",
"One-dimensional decay function (finite size effects)",
Profile1DCatalog::Type::Cauchy);
}
std::unique_ptr<IInterference> Interference1DLatticeItem::createInterference() const
{
auto result = std::make_unique<Interference1DLattice>(m_length.dVal(),
Units::deg2rad(m_rotation_angle.dVal()));
result->setDecayFunction(*m_decay_function.certainItem()->createProfile());
result->setPositionVariance(m_position_variance.dVal());
return std::unique_ptr<IInterference>(result.release());
}
void Interference1DLatticeItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<InterferenceItem>(w, XML::Tag::BaseData, this);
// length
m_length.writeTo2(w, Tag::Length);
// rotation angle
m_rotation_angle.writeTo2(w, Tag::RotationAngle);
XML::writeTaggedElement(w, Tag::DecayFunction, m_decay_function);
}
void Interference1DLatticeItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<InterferenceItem>(r, tag, this);
else if (tag == Tag::Length) {
m_length.readFrom2(r, tag);
} else if (tag == Tag::RotationAngle) {
m_rotation_angle.readFrom2(r, tag);
} else if (tag == Tag::DecayFunction)
XML::readTaggedElement(r, tag, m_decay_function);
else
r->skipCurrentElement();
}
}
// --------------------------------------------------------------------------------------------- //
void Interference2DAbstractLatticeItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<InterferenceItem>(w, XML::Tag::BaseData, this);
XML::writeTaggedValue(w, Tag::IntegrateOverXi, m_xi_integration);
XML::writeTaggedElement(w, Tag::LatticeType, m_lattice_type);
}
void Interference2DAbstractLatticeItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<InterferenceItem>(r, tag, this);
else if (tag == Tag::IntegrateOverXi)
m_xi_integration = XML::readTaggedBool(r, tag);
else if (tag == Tag::LatticeType)
XML::readTaggedElement(r, tag, m_lattice_type);
else
r->skipCurrentElement();
}
}
Interference2DAbstractLatticeItem::Interference2DAbstractLatticeItem(bool xiIntegration)
: m_xi_integration(xiIntegration)
{
m_lattice_type.simpleInit("Lattice type", "", Lattice2DCatalog::Type::Basic);
m_lattice_type.setCertainItem(new HexagonalLattice2DItem());
}
// --------------------------------------------------------------------------------------------- //
Interference2DLatticeItem::Interference2DLatticeItem()
: Interference2DAbstractLatticeItem(false)
{
m_decay_function.simpleInit("Decay Function",
"Two-dimensional decay function (finite size effects)",
Profile2DCatalog::Type::Cauchy);
}
std::unique_ptr<IInterference> Interference2DLatticeItem::createInterference() const
{
Lattice2DItem* latticeItem = latticeTypeItem();
std::unique_ptr<Interference2DLattice> result(
new Interference2DLattice(*latticeItem->createLattice()));
result->setDecayFunction(*m_decay_function.certainItem()->createProfile());
result->setIntegrationOverXi(xiIntegration());
result->setPositionVariance(m_position_variance.dVal());
return std::unique_ptr<IInterference>(result.release());
}
void Interference2DLatticeItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<Interference2DAbstractLatticeItem>(w, XML::Tag::BaseData, this);
XML::writeTaggedElement(w, Tag::DecayFunction, m_decay_function);
}
void Interference2DLatticeItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<Interference2DAbstractLatticeItem>(r, tag, this);
else if (tag == Tag::DecayFunction)
XML::readTaggedElement(r, tag, m_decay_function);
else
r->skipCurrentElement();
}
}
// --------------------------------------------------------------------------------------------- //
Interference2DParacrystalItem::Interference2DParacrystalItem()
: Interference2DAbstractLatticeItem(true)
{
m_damping_length.init("Damping length", "nm",
"The damping (coherence) length of the paracrystal", 0.0, "dampingLen");
m_domain_size1.init("Domain size 1", "nm",
"Size of the coherent domain along the first basis vector", 20000.0,
"size1");
m_domain_size2.init("Domain size 2", "nm",
"Size of the coherent domain along the second basis vector", 20000.0,
"size2");
m_pdf1.simpleInit("PDF 1", "Probability distribution in first lattice direction",
Profile2DCatalog::Type::Cauchy);
m_pdf2.simpleInit("PDF 2", "Probability distribution in second lattice direction",
Profile2DCatalog::Type::Cauchy);
}
std::unique_ptr<IInterference> Interference2DParacrystalItem::createInterference() const
{
Lattice2DItem* latticeItem = latticeTypeItem();
std::unique_ptr<Interference2DParacrystal> result(
new Interference2DParacrystal(*latticeItem->createLattice(), 0, 0, 0));
result->setDampingLength(m_damping_length.dVal());
result->setDomainSizes(m_domain_size1.dVal(), m_domain_size2.dVal());
result->setIntegrationOverXi(xiIntegration());
result->setProbabilityDistributions(*m_pdf1.certainItem()->createProfile(),
*m_pdf2.certainItem()->createProfile());
result->setPositionVariance(m_position_variance.dVal());
return std::unique_ptr<IInterference>(result.release());
}
void Interference2DParacrystalItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<Interference2DAbstractLatticeItem>(w, XML::Tag::BaseData, this);
// damping length
m_damping_length.writeTo2(w, Tag::DampingLength);
// domain size 1
m_domain_size1.writeTo2(w, Tag::DomainSize1);
// domain size 2
m_domain_size2.writeTo2(w, Tag::DomainSize2);
XML::writeTaggedElement(w, Tag::PDF1, m_pdf1);
XML::writeTaggedElement(w, Tag::PDF2, m_pdf2);
}
void Interference2DParacrystalItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<Interference2DAbstractLatticeItem>(r, tag, this);
else if (tag == Tag::DampingLength) {
m_damping_length.readFrom2(r, tag);
} else if (tag == Tag::DomainSize1) {
m_domain_size1.readFrom2(r, tag);
} else if (tag == Tag::DomainSize2) {
m_domain_size2.readFrom2(r, tag);
} else if (tag == Tag::PDF1)
XML::readTaggedElement(r, tag, m_pdf1);
else if (tag == Tag::PDF2)
XML::readTaggedElement(r, tag, m_pdf2);
else
r->skipCurrentElement();
}
}
// --------------------------------------------------------------------------------------------- //
InterferenceFinite2DLatticeItem::InterferenceFinite2DLatticeItem()
: Interference2DAbstractLatticeItem(false)
{
}
std::unique_ptr<IInterference> InterferenceFinite2DLatticeItem::createInterference() const
{
Lattice2DItem* latticeItem = latticeTypeItem();
auto result = std::make_unique<InterferenceFinite2DLattice>(*latticeItem->createLattice(),
m_domain_size1, m_domain_size2);
result->setIntegrationOverXi(xiIntegration());
result->setPositionVariance(m_position_variance.dVal());
return result;
}
void InterferenceFinite2DLatticeItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<Interference2DAbstractLatticeItem>(w, XML::Tag::BaseData, this);
XML::writeTaggedValue(w, Tag::DomainSize1, m_domain_size1);
XML::writeTaggedValue(w, Tag::DomainSize2, m_domain_size2);
}
void InterferenceFinite2DLatticeItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<Interference2DAbstractLatticeItem>(r, tag, this);
else if (tag == Tag::DomainSize1)
m_domain_size1 = XML::readTaggedUInt(r, tag);
else if (tag == Tag::DomainSize2)
m_domain_size2 = XML::readTaggedUInt(r, tag);
else
r->skipCurrentElement();
}
}
// --------------------------------------------------------------------------------------------- //
InterferenceHardDiskItem::InterferenceHardDiskItem()
{
m_radius.init("Radius", "nm", "Hard disk radius", 5.0, "radius");
m_density.init("Total particle density", "nm^-2", "Particle density in particles per area",
0.002, 6, 0.0001 /* step */, RealLimits::nonnegative(), "density");
}
std::unique_ptr<IInterference> InterferenceHardDiskItem::createInterference() const
{
auto result = std::make_unique<InterferenceHardDisk>(m_radius.dVal(), m_density.dVal());
result->setPositionVariance(m_position_variance.dVal());
return std::unique_ptr<IInterference>(result.release());
}
void InterferenceHardDiskItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<InterferenceItem>(w, XML::Tag::BaseData, this);
// radius
m_radius.writeTo2(w, Tag::Radius);
// density
m_density.writeTo2(w, Tag::Density);
}
void InterferenceHardDiskItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<InterferenceItem>(r, tag, this);
else if (tag == Tag::Radius) {
m_radius.readFrom2(r, tag);
} else if (tag == Tag::Density) {
m_density.readFrom2(r, tag);
} else
r->skipCurrentElement();
}
}
// --------------------------------------------------------------------------------------------- //
InterferenceRadialParacrystalItem::InterferenceRadialParacrystalItem()
{
m_peak_distance.init("Peak distance", "nm", "Average distance to the next neighbor", 20.0,
"peak");
m_damping_length.init("Damping length", "nm",
"The damping (coherence) length of the paracrystal", 1000.0,
"dampingLen");
m_domain_size.init("Domain size", "nm", "Size of coherence domain along the lattice main axis",
0.0, "size");
m_kappa.init("SizeSpaceCoupling", "",
"Size spacing coupling parameter of the Size Spacing Correlation Approximation",
0.0, "kappa");
m_pdf.simpleInit("PDF", "One-dimensional probability distribution",
Profile1DCatalog::Type::Cauchy);
}
std::unique_ptr<IInterference> InterferenceRadialParacrystalItem::createInterference() const
{
auto result = std::make_unique<InterferenceRadialParacrystal>(m_peak_distance.dVal(),
m_damping_length.dVal());
result->setDomainSize(m_domain_size.dVal());
result->setKappa(m_kappa.dVal());
auto pdf = m_pdf.certainItem()->createProfile();
result->setProbabilityDistribution(*pdf);
result->setPositionVariance(m_position_variance.dVal());
return std::unique_ptr<IInterference>(result.release());
}
void InterferenceRadialParacrystalItem::writeTo(QXmlStreamWriter* w) const
{
XML::writeBaseElement<InterferenceItem>(w, XML::Tag::BaseData, this);
// peak distance
m_peak_distance.writeTo2(w, Tag::PeakDistance);
// damping length
m_damping_length.writeTo2(w, Tag::DampingLength);
// domain size
m_domain_size.writeTo2(w, Tag::DomainSize);
// kappa
m_kappa.writeTo2(w, Tag::Kappa);
XML::writeTaggedElement(w, Tag::PDF, m_pdf);
}
void InterferenceRadialParacrystalItem::readFrom(QXmlStreamReader* r)
{
while (r->readNextStartElement()) {
QString tag = r->name().toString();
if (tag == Tag::BaseData)
XML::readBaseElement<InterferenceItem>(r, tag, this);
else if (tag == Tag::PeakDistance) {
m_peak_distance.readFrom2(r, tag);
} else if (tag == Tag::DampingLength) {
m_damping_length.readFrom2(r, tag);
} else if (tag == Tag::DomainSize) {
m_domain_size.readFrom2(r, tag);
} else if (tag == Tag::Kappa) {
m_kappa.readFrom2(r, tag);
} else if (tag == Tag::PDF)
XML::readTaggedElement(r, tag, m_pdf);
else
r->skipCurrentElement();
}
}
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