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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/Lattice/Lattice2D.cpp
//! @brief Implements classes of Lattice2D family.
//!
//! @homepage http://www.bornagainproject.org
//! @license GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2018
//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
// ************************************************************************************************
#include "Sample/Lattice/Lattice2D.h"
#include <cmath>
#include <numbers>
using std::numbers::pi;
// ************************************************************************************************
// class Lattice2D
// ************************************************************************************************
Lattice2D::Lattice2D(const std::vector<double>& PValues)
: INode(PValues)
{
}
Lattice2D::Lattice2D(double xi)
: m_xi(xi)
{
}
ReciprocalBases Lattice2D::reciprocalBases() const
{
const double sinalpha = std::sin(latticeAngle());
const double ainv = (2 * pi) / length1() / sinalpha;
const double binv = (2 * pi) / length2() / sinalpha;
const double xi = rotationAngle();
const double xialpha = xi + latticeAngle();
return {+ainv * std::sin(xialpha), -ainv * std::cos(xialpha), -binv * std::sin(xi),
+binv * std::cos(xi)};
}
void Lattice2D::setRotationEnabled(bool /*enabled*/) // TODO ASAP replace by generic mechanism
{
// #bapool enabling/disabling was done by register/unregister m_xi. Any equivalent
// implementation necessary?
}
// ************************************************************************************************
// class BasicLattice2D
// ************************************************************************************************
BasicLattice2D::BasicLattice2D(double length1, double length2, double angle, double xi)
: Lattice2D(xi)
, m_length1(length1)
, m_length2(length2)
, m_angle(angle)
{
validateOrThrow();
}
BasicLattice2D* BasicLattice2D::clone() const
{
return new BasicLattice2D(m_length1, m_length2, m_angle, m_xi);
}
double BasicLattice2D::unitCellArea() const
{
return std::abs(m_length1 * m_length2 * std::sin(m_angle));
}
std::string BasicLattice2D::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_length1, "length1");
requestGt0(errs, m_length2, "length2");
if (!errs.empty())
return jointError(errs);
m_validated = true;
return "";
}
// ************************************************************************************************
// class SquareLattice2D
// ************************************************************************************************
SquareLattice2D::SquareLattice2D(double length, double xi)
: Lattice2D(xi)
, m_length(length)
{
validateOrThrow();
}
SquareLattice2D* SquareLattice2D::clone() const
{
return new SquareLattice2D(m_length, m_xi);
}
double SquareLattice2D::latticeAngle() const
{
return pi / 2.0;
}
double SquareLattice2D::unitCellArea() const
{
return std::abs(m_length * m_length);
}
std::string SquareLattice2D::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_length, "length");
if (!errs.empty())
return jointError(errs);
m_validated = true;
return "";
}
// ************************************************************************************************
// class HexagonalLattice2D
// ************************************************************************************************
HexagonalLattice2D::HexagonalLattice2D(double length, double xi)
: Lattice2D(xi)
, m_length(length)
{
validateOrThrow();
}
HexagonalLattice2D* HexagonalLattice2D::clone() const
{
return new HexagonalLattice2D(m_length, m_xi);
}
double HexagonalLattice2D::latticeAngle() const
{
return (2 * pi) / 3.0;
}
double HexagonalLattice2D::unitCellArea() const
{
static const double sinval = std::sin(latticeAngle());
return std::abs(m_length * m_length * sinval);
}
std::string HexagonalLattice2D::validate() const
{
std::vector<std::string> errs;
requestGt0(errs, m_length, "length");
if (!errs.empty())
return jointError(errs);
m_validated = true;
return "";
}
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