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// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sim/Export/SimulationToPython.cpp
//! @brief Implements class SimulationToPython.
//!
//! @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 "Sim/Export/SimulationToPython.h"
#include "Base/Axis/Scale.h"
#include "Base/Py/PyFmt.h"
#include "Base/Util/Assert.h"
#include "Device/Beam/Beam.h"
#include "Device/Beam/FootprintGauss.h"
#include "Device/Beam/FootprintSquare.h"
#include "Device/Detector/OffspecDetector.h"
#include "Device/Detector/SphericalDetector.h"
#include "Device/Mask/MaskStack.h"
#include "Device/Resolution/ConvolutionDetectorResolution.h"
#include "Device/Resolution/ResolutionFunction2DGaussian.h"
#include "Param/Distrib/Distributions.h"
#include "Param/Node/NodeUtil.h"
#include "Resample/Option/SimulationOptions.h"
#include "Sim/Background/ConstantBackground.h"
#include "Sim/Background/PoissonBackground.h"
#include "Sim/Export/ExportToPython.h"
#include "Sim/Export/PyFmt2.h"
#include "Sim/Export/SampleToPython.h"
#include "Sim/Scan/AlphaScan.h"
#include "Sim/Scan/LambdaScan.h"
#include "Sim/Scan/QzScan.h"
#include "Sim/Simulation/includeSimulations.h"
#include <iomanip>
using Py::Fmt::indent;
namespace {
std::string defineFootprint(const IFootprint& foot)
{
std::ostringstream result;
result << indent() << "footprint = ba." << foot.className();
result << "(" << Py::Fmt::printDouble(foot.widthRatio()) << ")\n";
return result.str();
}
std::string definePhysicalScanDistributions(const PhysicalScan& scan)
{
std::ostringstream result;
if (const IDistribution1D* d = scan.wavelengthDistribution()) {
result << "\n";
result << indent() << "wavelength_distr = " << Py::Fmt2::printDistribution(*d);
result << indent() << "scan.setWavelengthDistribution(wavelength_distr)\n";
}
if (const IDistribution1D* d = scan.grazingAngleDistribution()) {
result << "\n";
result << indent() << "grazing_distr = " << Py::Fmt2::printDistribution(*d);
result << indent() << "scan.setGrazingAngleDistribution(grazing_distr)\n";
}
if (const IDistribution1D* d = scan.azimuthalAngleDistribution()) {
result << "\n";
result << indent() << "azimuthal_distr = " << Py::Fmt2::printDistribution(*d);
result << indent() << "scan.setAzimuthalAngleDistribution(azimuthal_distr)\n";
}
result << "\n";
return result.str();
}
std::string definePhysicalScan(const PhysicalScan& scan)
{
std::ostringstream result;
if (scan.commonAzimuthalAngle() != 0)
result << indent() << "scan.setAzimuthalAngle("
<< Py::Fmt::printDouble(scan.commonAzimuthalAngle()) << ")\n";
result << definePhysicalScanDistributions(scan);
if (const IFootprint* fp = scan.commonFootprint()) {
result << defineFootprint(*fp);
result << indent() << "scan.setFootprint(footprint)\n";
}
return result.str();
}
std::string defineLambdaScan(const LambdaScan& scan)
{
std::ostringstream result;
result << indent() << "axis = " << Py::Fmt2::printAxis(scan.coordinateAxis(), "nm") << "\n"
<< indent() << "scan = "
<< "ba.LambdaScan(axis)\n";
result << indent() << "scan.setGrazingAngle(" << Py::Fmt::printDouble(scan.commonGrazingAngle())
<< ")\n";
result << definePhysicalScan(scan);
return result.str();
}
std::string defineAlphaScan(const AlphaScan& scan)
{
std::ostringstream result;
result << indent() << "axis = " << Py::Fmt2::printAxis(scan.coordinateAxis(), "rad") << "\n"
<< indent() << "scan = "
<< "ba.AlphaScan(axis)\n";
result << indent() << "scan.setWavelength(" << Py::Fmt::printDouble(scan.commonWavelength())
<< ")\n";
result << definePhysicalScan(scan);
return result.str();
}
std::string defineQzScan(const QzScan& scan)
{
std::ostringstream result;
const std::string axis_def = indent() + "axis = ";
result << axis_def << Py::Fmt2::printAxis(scan.coordinateAxis(), "1/nm") << "\n";
result << indent() << "scan = ba.QzScan(axis)\n";
if (const IDistribution1D* d = scan.qzDistribution()) {
result << indent() << "qz_distr = " << Py::Fmt2::printDistribution(*d);
if (scan.resolution_is_relative())
result << indent() << "scan.setRelativeQResolution(qz_distr, "
<< scan.resolution_widths().at(0) << ")\n";
else if (scan.resolution_widths().size() == 1)
result << indent() << "scan.setAbsoluteQResolution(qz_distr, "
<< scan.resolution_widths().at(0) << ")\n";
else
ASSERT_NEVER; // vector resolution export not yet implemented
result << "\n";
}
return result.str();
}
std::string definePolarizationAnalyzer(const PolFilter& analyzer, const std::string parent)
{
std::ostringstream result;
const R3& v = analyzer.BlochVector();
double transmission = analyzer.transmission();
if (v.mag2() > 0.0) {
std::string direction_name = "analyzer_Bloch_vector";
result << indent() << direction_name << " = R3(" << Py::Fmt::printDouble(v.x()) << ", "
<< Py::Fmt::printDouble(v.y()) << ", " << Py::Fmt::printDouble(v.z()) << ")\n";
result << indent() << parent << ".setAnalyzer(" << direction_name << ", "
<< Py::Fmt::printDouble(transmission) << ")\n";
}
return result.str();
}
std::string defineDetector(const IDetector& detector)
{
std::ostringstream result;
result << std::setprecision(12);
std::function<std::string(double)> printFunc = Py::Fmt::printDouble;
if (const auto* const det = dynamic_cast<const SphericalDetector*>(&detector)) {
// clang-format off
result << "\n"
<< indent() << "detector = ba.SphericalDetector("
<< det->axis(0).size() << ", "
<< det->axis(0).min() << ", "
<< det->axis(0).max() << ", "
<< det->axis(1).size() << ", "
<< det->axis(1).min() << ", "
<< det->axis(1).max() << ")\n";
// clang-format on
} else
ASSERT_NEVER; // unknown detector
//... Region of interest
if (detector.hasExplicitRegionOfInterest()) {
const auto xBounds = detector.regionOfInterestBounds(0);
const auto yBounds = detector.regionOfInterestBounds(1);
result << indent() << "detector.setRegionOfInterest(" << printFunc(xBounds.first) << ", "
<< printFunc(yBounds.first) << ", " << printFunc(xBounds.second) << ", "
<< printFunc(yBounds.second) << ")\n";
}
result << definePolarizationAnalyzer(detector.analyzer(), "detector");
//... Resolution
if (const IDetectorResolution* resfunc = detector.detectorResolution()) {
if (const auto* convfunc = dynamic_cast<const ConvolutionDetectorResolution*>(resfunc)) {
if (const auto* resfunc = dynamic_cast<const ResolutionFunction2DGaussian*>(
convfunc->getResolutionFunction2D())) {
result << indent() << "detector.setResolutionFunction(";
result << "ba.ResolutionFunction2DGaussian(";
result << printFunc(resfunc->sigmaX()) << ", ";
result << printFunc(resfunc->sigmaY()) << "))\n";
} else
ASSERT_NEVER; // unknown detector resolution function
} else
ASSERT_NEVER; // not a ConvolutionDetectorResolution function
}
//... Mask
const MaskStack* maskStack = detector.detectorMask();
if (maskStack && maskStack->hasMasks()) {
result << "\n";
for (size_t i_mask = 0; i_mask < maskStack->numberOfMasks(); ++i_mask) {
const auto [shape, mask_value] = maskStack->patternAt(i_mask);
result << Py::Fmt2::representShape2D(indent(), shape, mask_value, printFunc);
}
result << "\n";
}
return result.str();
}
std::string defineBeamPolarization(const R3& bloch_vector, const std::string parent)
{
std::ostringstream result;
if (bloch_vector.mag() > 0.0) {
std::string pol_bloch_vector = "pol_Bloch_vector";
result << indent() << pol_bloch_vector << " = R3(" << Py::Fmt::printDouble(bloch_vector.x())
<< ", " << Py::Fmt::printDouble(bloch_vector.y()) << ", "
<< Py::Fmt::printDouble(bloch_vector.z()) << ")\n";
result << indent() << parent << ".setPolarization(" << pol_bloch_vector << ")\n";
}
return result.str();
}
std::string defineGISASBeam(const ScatteringSimulation& simulation)
{
std::ostringstream result;
const Beam& beam = simulation.beam();
if (beam.intensity() == 1) {
result << indent() << "beam = ba.Beam(1, ";
} else {
result << indent() << "beam = ba.Beam(" << Py::Fmt::printDouble(beam.intensity()) << ", ";
}
result << Py::Fmt::printNm(beam.wavelength()) << ", " << Py::Fmt::printDegrees(beam.alpha_i());
if (beam.phi_i() != 0)
result << ", " << Py::Fmt::printDegrees(beam.phi_i());
result << ")\n";
if (const IFootprint* fp = beam.footprint()) {
result << defineFootprint(*fp);
result << indent() << "beam.setFootprint(footprint)\n";
}
result << defineBeamPolarization(beam.polVector(), "beam");
return result.str();
}
std::string defineBeamScan(const BeamScan& scan)
{
std::ostringstream result;
if (const auto* s = dynamic_cast<const AlphaScan*>(&scan))
result << defineAlphaScan(*s);
else if (const auto* s = dynamic_cast<const LambdaScan*>(&scan))
result << defineLambdaScan(*s);
else if (const auto* s = dynamic_cast<const QzScan*>(&scan))
result << defineQzScan(*s);
else
ASSERT_NEVER;
if (scan.commonIntensity() != BeamScan::defaultIntensity)
result << indent() << "scan.setIntensity(" << scan.commonIntensity() << ")\n";
result << defineBeamPolarization(scan.commonPolarization(), "scan");
return result.str();
}
std::string defineParameterDistributions(const std::vector<ParameterDistribution>& distributions)
{
std::ostringstream result;
if (distributions.empty())
return "";
for (size_t i = 0; i < distributions.size(); ++i) {
const std::string mainParUnits = distributions[i].unitOfParameter();
const std::string distr = "distr_" + std::to_string(i + 1);
result << indent() << distr << " = "
<< Py::Fmt2::printDistribution(*distributions[i].getDistribution());
result << indent() << "simulation.addParameterDistribution(ba."
<< distributions[i].whichParameterAsPyEnum() << ", " << distr << ")\n";
}
return result.str();
}
std::string defineSimulationOptions(const SimulationOptions& options)
{
std::ostringstream result;
result << std::setprecision(12);
if (options.getHardwareConcurrency() != options.getNumberOfThreads())
result << indent() << "simulation.options().setNumberOfThreads("
<< options.getNumberOfThreads() << ")\n";
if (options.isIntegrate())
result << indent() << "simulation.options().setMonteCarloIntegration(True, "
<< options.getMcPoints() << ")\n";
if (options.useAvgMaterials())
result << indent() << "simulation.options().setUseAvgMaterials(True)\n";
if (options.includeSpecular())
result << indent() << "simulation.options().setIncludeSpecular(True)\n";
return result.str();
}
std::string defineBackground(const ISimulation& simulation)
{
std::ostringstream result;
const auto* bg = simulation.background();
if (const auto* constant_bg = dynamic_cast<const ConstantBackground*>(bg)) {
if (constant_bg->backgroundValue() > 0.0) {
result << indent() << "background = ba.ConstantBackground("
<< Py::Fmt::printScientificDouble(constant_bg->backgroundValue()) << ")\n";
result << indent() << "simulation.setBackground(background)\n";
}
} else if (dynamic_cast<const PoissonBackground*>(bg)) {
result << indent() << "background = ba.PoissonBackground()\n";
result << indent() << "simulation.setBackground(background)\n";
}
return result.str();
}
std::string defineScatteringSimulation(const ScatteringSimulation& simulation)
{
std::ostringstream result;
result << "\n" << indent() << "# Define GISAS simulation:\n";
result << defineGISASBeam(simulation);
result << defineDetector(simulation.detector());
result << indent() << "simulation = ba.ScatteringSimulation(beam, sample, detector)\n";
result << defineParameterDistributions(simulation.paramDistributions());
result << defineSimulationOptions(simulation.options());
result << defineBackground(simulation);
return result.str();
}
std::string defineOffspecSimulation(const OffspecSimulation& simulation)
{
std::ostringstream result;
result << "\n" << indent() << "# Define off-specular simulation:\n";
result << defineBeamScan(*simulation.scan());
const OffspecDetector& detector = simulation.detector();
result << indent() << "detector = ba.OffspecDetector(";
result << std::setprecision(12);
result << detector.axis(0).size() << ", " << Py::Fmt::printDegrees(detector.axis(0).min())
<< ", " << Py::Fmt::printDegrees(detector.axis(0).max()) << ", "
<< detector.axis(1).size() << ", " << Py::Fmt::printDegrees(detector.axis(1).min())
<< ", " << Py::Fmt::printDegrees(detector.axis(1).max());
result << ")\n";
result << definePolarizationAnalyzer(detector.analyzer(), "detector");
result << indent() << "simulation = ba.OffspecSimulation(scan, sample, detector)\n";
result << defineSimulationOptions(simulation.options());
result << defineBackground(simulation);
return result.str();
}
std::string defineSpecularSimulation(const SpecularSimulation& simulation)
{
std::ostringstream result;
result << "\n" << indent() << "# Define specular scan:\n";
result << defineBeamScan(*simulation.scan());
if (const PolFilter* analyzer = simulation.scan()->analyzer())
result << definePolarizationAnalyzer(*analyzer, "scan"); // mv analyzer to detector
result << indent() << "simulation = ba.SpecularSimulation(scan, sample)\n";
result << defineSimulationOptions(simulation.options());
result << defineBackground(simulation);
result << "\n";
return result.str();
}
std::string defineDepthprobeSimulation(const DepthprobeSimulation& simulation)
{
std::ostringstream result;
result << defineBeamScan(*simulation.scan());
const Scale& z_axis = simulation.z_axis();
result << indent() << "z_axis = ba.EquiDivision(\"z (nm)\", " << z_axis.size() << ", "
<< z_axis.min() << "*nm, " << z_axis.max() << "*nm)\n";
result << indent() << "simulation = ba.DepthprobeSimulation(scan, sample, z_axis)\n";
result << defineSimulationOptions(simulation.options());
result << defineBackground(simulation);
return result.str();
}
std::string defineSimulate(const ISimulation& simulation)
{
std::ostringstream result;
result << "def get_simulation(sample):\n";
if (const auto* s = dynamic_cast<const ScatteringSimulation*>(&simulation))
result << defineScatteringSimulation(*s);
else if (const auto* s = dynamic_cast<const OffspecSimulation*>(&simulation))
result << defineOffspecSimulation(*s);
else if (const auto* s = dynamic_cast<const SpecularSimulation*>(&simulation))
result << defineSpecularSimulation(*s);
else if (const auto* s = dynamic_cast<const DepthprobeSimulation*>(&simulation))
result << defineDepthprobeSimulation(*s);
else
ASSERT_NEVER;
result << " return simulation\n\n\n";
return result.str();
}
std::string simulationCode(const ISimulation& simulation)
{
ASSERT(simulation.sample());
return SampleToPython().sampleCode(*simulation.sample()) + defineSimulate(simulation);
}
} // namespace
// ************************************************************************************************
// class SimulationToPython
// ************************************************************************************************
std::string SimulationToPython::simulationPlotCode(const ISimulation& simulation)
{
const std::string code = ::simulationCode(simulation);
return "import bornagain as ba\n" + Py::Fmt::printImportedSymbols(code) + "\n\n" + code
+ "if __name__ == '__main__':\n"
" from bornagain import ba_plot as bp\n"
" sample = get_sample()\n"
" simulation = get_simulation(sample)\n"
" result = simulation.simulate()\n"
" bp.plot_datafield(result)\n"
" bp.plt.show()\n";
}
std::string SimulationToPython::simulationSaveCode(const ISimulation& simulation,
const std::string& fname)
{
const std::string code = ::simulationCode(simulation);
return "import bornagain as ba\n" + Py::Fmt::printImportedSymbols(code) + "\n\n" + code
+ "if __name__ == '__main__':\n"
" sample = get_sample()\n"
" simulation = get_simulation(sample)\n"
" result = simulation.simulate()\n"
" ba.writeDatafield(result, \""
+ fname + "\")\n";
}
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