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#include "Base/Const/Units.h"
#include "Base/Vector/RotMatrix.h"
#include "Base/Vector/WavevectorInfo.h"
#include "Sample/Material/MaterialFactoryFuncs.h"
#include "Sample/Material/MaterialUtil.h"
#include "Sample/Scattering/Rotations.h"
#include "Tests/GTestWrapper/google_test.h"
#include <iostream>
#include <numbers>
using std::numbers::pi;
TEST(Material, MaterialConstruction)
{
complex_t material_data = complex_t(0.0, 2.0);
complex_t refIndex = complex_t(1.0 - material_data.real(), material_data.imag());
R3 magnetism = R3(3.0, 4.0, 5.0);
Material material = RefractiveMaterial("MagMaterial", refIndex, magnetism);
EXPECT_EQ(material_data, material.refractiveIndex_or_SLD());
EXPECT_EQ(magnetism, material.magnetization());
Material material2 =
RefractiveMaterial("MagMaterial", material_data.real(), material_data.imag(), magnetism);
EXPECT_EQ(material_data, material2.refractiveIndex_or_SLD());
EXPECT_EQ(magnetism, material2.magnetization());
Material material3 =
MaterialBySLD("MagMaterial", material_data.real(), material_data.imag(), magnetism);
EXPECT_EQ(material_data, material3.refractiveIndex_or_SLD());
EXPECT_EQ(magnetism, material3.magnetization());
R3 default_magnetism = R3{};
Material material4 = RefractiveMaterial("Material", refIndex);
EXPECT_EQ(material_data, material4.refractiveIndex_or_SLD());
EXPECT_EQ(default_magnetism, material4.magnetization());
Material material5 = RefractiveMaterial("Material", material_data.real(), material_data.imag());
EXPECT_EQ(material_data, material5.refractiveIndex_or_SLD());
EXPECT_EQ(default_magnetism, material5.magnetization());
Material material6 = MaterialBySLD("Material", material_data.real(), material_data.imag());
EXPECT_EQ(default_magnetism, material6.magnetization());
}
TEST(Material, MaterialTransform)
{
complex_t material_data = complex_t(1.0, 0.0);
complex_t refIndex = complex_t(1.0 - material_data.real(), material_data.imag());
R3 magnetism = R3(1.0, 0.0, 0.0);
RotationZ transform(90. * Units::deg);
R3 transformed_mag = transform.transformed(magnetism);
Material material = RefractiveMaterial("Material", refIndex, magnetism);
Material material2 = material.rotatedMaterial(transform.rotMatrix());
EXPECT_EQ(material_data, material2.refractiveIndex_or_SLD());
// transformed_mag equals material2.magnetization except on i368:
EXPECT_TRUE(fabs((transformed_mag - material2.magnetization()).x()) < 3e-16);
EXPECT_TRUE(fabs((transformed_mag - material2.magnetization()).y()) < 3e-16);
EXPECT_TRUE(fabs((transformed_mag - material2.magnetization()).z()) < 3e-16);
Material material3 =
MaterialBySLD("Material", material_data.real(), material_data.imag(), magnetism);
Material material4 = material.rotatedMaterial(transform.rotMatrix());
EXPECT_EQ(material_data, material4.refractiveIndex_or_SLD());
// transformed_mag equals material4.magnetization except on i368:
EXPECT_TRUE(fabs((transformed_mag - material4.magnetization()).x()) < 3e-16);
EXPECT_TRUE(fabs((transformed_mag - material4.magnetization()).y()) < 3e-16);
EXPECT_TRUE(fabs((transformed_mag - material4.magnetization()).z()) < 3e-16);
}
TEST(Material, DefaultMaterials)
{
Material material = Vacuum();
const double dummy_wavelength = 1.0;
EXPECT_EQ(material.refractiveIndex_or_SLD(), complex_t());
EXPECT_EQ(material.refractiveIndex_or_SLD(), MaterialBySLD().refractiveIndex_or_SLD());
EXPECT_EQ(material.magnetization(), R3{});
EXPECT_EQ(material.magnetization(), MaterialBySLD().magnetization());
EXPECT_EQ(material.refractiveIndex(dummy_wavelength), complex_t(1.0, 0.0));
EXPECT_EQ(material.refractiveIndex(dummy_wavelength),
MaterialBySLD().refractiveIndex(dummy_wavelength));
EXPECT_TRUE(material.typeID() == Vacuum().typeID());
EXPECT_FALSE(material.typeID() == MaterialBySLD().typeID());
}
TEST(Material, Computation)
{
// Reference data for Fe taken from
// https://sld-calculator.appspot.com
// http://www.ati.ac.at/~neutropt/scattering/table.html
const double bc = 9.45e-6; // nm, bound coherent scattering length
const double abs_cs = 2.56e-10; // nm^2, absorption cross-section for 2200 m/s neutrons
const double basic_wavelength = 0.1798197; // nm, wavelength of 2200 m/s neutrons
const double mol_mass = 55.845; // g/mol, Fe molar mass
const double avog_number = 6.022e23; // mol^{-1}, Avogadro number
const double density = 7.874e-21; // g/nm^3, Fe material density
const double number_density = avog_number * density / mol_mass; // 1/nm^3, Fe number density
const double sld_real = number_density * bc;
const double sld_imag = number_density * abs_cs / (2.0 * basic_wavelength);
const double sq_angstroms = Units::angstrom * Units::angstrom;
const complex_t sld_ref(8.0241e-04, // nm^{-2}, reference data
6.0448e-8); // taken from https://sld-calculator.appspot.com/
// checking input data and reference values are the same
EXPECT_NEAR(2.0 * (sld_ref.real() - sld_real) / (sld_ref.real() + sld_real), 0.0, 1e-3);
EXPECT_NEAR(2.0 * (sld_ref.imag() - sld_imag) / (sld_ref.imag() + sld_imag), 0.0, 1e-3);
const double wl_factor_2200 = basic_wavelength * basic_wavelength / pi;
const double wl_factor_1100 = 4.0 * basic_wavelength * basic_wavelength / pi;
// MaterialBySLD accepts sld in AA^{-2}
Material material = MaterialBySLD("Fe", sld_real * sq_angstroms, sld_imag * sq_angstroms);
complex_t sld_res_2200 = (1.0 - material.refractiveIndex2(basic_wavelength)) / wl_factor_2200;
complex_t sld_res_1100 =
(1.0 - material.refractiveIndex2(2.0 * basic_wavelength)) / wl_factor_1100;
// change the sign of imaginary part according to internal convention
sld_res_2200 = std::conj(sld_res_2200);
sld_res_1100 = std::conj(sld_res_1100);
EXPECT_NEAR(0.0, (sld_ref.real() - sld_res_2200.real()) / sld_ref.real(), 1e-3);
EXPECT_NEAR(0.0, (sld_ref.imag() - sld_res_2200.imag()) / sld_ref.imag(), 1e-3);
EXPECT_NEAR(0.0, (sld_ref.real() - sld_res_1100.real()) / sld_ref.real(), 1e-3);
EXPECT_NEAR(0.0, (sld_ref.imag() - sld_res_1100.imag()) / sld_ref.imag(), 1e-3);
const complex_t refr_index = material.refractiveIndex(2.0 * basic_wavelength);
WavevectorInfo wv_info(C3{}, C3{}, 2.0 * basic_wavelength);
Material material2 =
RefractiveMaterial("Fe", 1.0 - refr_index.real(), std::abs(refr_index.imag()));
const complex_t subtrSLD = material2.scalarSubtrSLD(wv_info);
const complex_t subtrSLDWlIndep = material.scalarSubtrSLD(wv_info);
EXPECT_NEAR(subtrSLD.real(), subtrSLDWlIndep.real(), 1e-10);
EXPECT_NEAR(subtrSLD.imag(), subtrSLDWlIndep.imag(), 1e-10);
}
TEST(Material, AverageRefractiveMaterials)
{
R3 magnetization = R3{1.0, 0.0, 0.0};
const Material material = RefractiveMaterial("Material", 0.5, 0.5, magnetization);
const Admixtures regions = {{OneAdmixture{0.25, material}, OneAdmixture{0.25, material}}};
const Material material_avr = MaterialUtil::averagedMaterial(material, regions);
EXPECT_EQ(material_avr.magnetization(), magnetization);
EXPECT_DOUBLE_EQ(material_avr.refractiveIndex_or_SLD().real(), 0.5);
EXPECT_DOUBLE_EQ(material_avr.refractiveIndex_or_SLD().imag(), 0.5);
EXPECT_TRUE(material_avr.typeID() == MATERIAL_TYPES::RefractiveMaterial);
const Material material3 = MaterialBySLD("Material3", 0.5, 0.5, magnetization);
EXPECT_THROW(MaterialUtil::averagedMaterial(material3, regions), std::runtime_error);
}
TEST(Material, AverageSLDMaterials)
{
R3 magnetization = R3{1.0, 0.0, 0.0};
const Material material = MaterialBySLD("Material", 0.5, 0.5, magnetization);
const Admixtures regions = {{OneAdmixture{0.25, material}, OneAdmixture{0.25, material}}};
const Material material_avr = MaterialUtil::averagedMaterial(material, regions);
EXPECT_EQ(material_avr.magnetization(), magnetization);
EXPECT_DOUBLE_EQ(material_avr.refractiveIndex_or_SLD().real(), 0.5);
EXPECT_DOUBLE_EQ(material_avr.refractiveIndex_or_SLD().imag(), 0.5);
EXPECT_TRUE(material_avr.typeID() == MATERIAL_TYPES::MaterialBySLD);
}
TEST(Material, AverageMixedMaterials)
{
R3 magnetization = R3{1.0, 0.0, 0.0};
const Material material = RefractiveMaterial("Material", 0.5, 0.5, magnetization);
const Admixtures regions = {{OneAdmixture{0.25, material}, OneAdmixture{0.25, material}}};
const Material material3 = MaterialBySLD("Material3", 0.5, 0.5, magnetization);
EXPECT_THROW(MaterialUtil::averagedMaterial(material3, regions), std::runtime_error);
}
TEST(Material, TypeIds)
{
Material material = MaterialBySLD("Material", 1.0, 1.0);
Material material2 = RefractiveMaterial("Material", 1.0, 1.0);
EXPECT_TRUE(material.typeID() == MATERIAL_TYPES::MaterialBySLD);
EXPECT_TRUE(material2.typeID() == MATERIAL_TYPES::RefractiveMaterial);
EXPECT_TRUE(material.typeID() != material2.typeID());
Material material3 = MaterialBySLD("Material", 1.0, 1.0);
EXPECT_TRUE(material.typeID() == material3.typeID());
}
TEST(Material, MaterialComparison)
{
Material material = MaterialBySLD("Material", 1.0, 1.0);
Material material2 = RefractiveMaterial("Material", 1.0, 1.0);
EXPECT_TRUE(material == material);
EXPECT_FALSE(material != material);
EXPECT_FALSE(material == material2);
Material material3 = RefractiveMaterial("Material3", 2.0, 2.0);
EXPECT_FALSE(material3 == material2);
EXPECT_TRUE(material3 != material2);
Material material4 = RefractiveMaterial("Material", 1.0, 1.0, R3{1.0, 2.0, 3.0});
EXPECT_FALSE(material4 == material2);
EXPECT_TRUE(material4 != material2);
EXPECT_FALSE(Vacuum() == MaterialBySLD());
EXPECT_TRUE(Vacuum() != MaterialBySLD());
}
TEST(Material, MaterialCopy)
{
complex_t material_data = complex_t(0.0, 2.0);
complex_t refIndex = complex_t(1.0 - material_data.real(), material_data.imag());
R3 magnetism = R3(3.0, 4.0, 5.0);
Material material = RefractiveMaterial("MagMaterial", refIndex, magnetism);
const Material& copy = material;
EXPECT_EQ(material_data, copy.refractiveIndex_or_SLD());
EXPECT_EQ(magnetism, copy.magnetization());
EXPECT_TRUE(material == copy);
}
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