113 lines
No EOL
3.3 KiB
C++
113 lines
No EOL
3.3 KiB
C++
#include "utk/metrics/PCF.hpp"
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#include "utk/metrics/RDF_Heck.hpp"
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#include <utk/metrics/RadialSpectrum.hpp>
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#include <utk/samplers/SamplerStep.hpp>
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#include <utk/utils/Pointset.hpp>
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#include <utk/utils/PointsetIO.hpp>
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#define DIMENSION 1025
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#define NSAMPLES 4096
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#define NBINS 1000
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#define SEED 8970
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template <typename T>
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void writeSpectrumToFile(const std::string &filename, std::vector<T> spectrum) {
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std::ofstream file;
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file.open(filename);
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file << DIMENSION << std::endl;
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for (auto freq : spectrum) {
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file << std::setprecision(std::numeric_limits<long double>::digits10 + 2)
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<< std::fixed;
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file << freq << std::endl;
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}
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}
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template <typename T>
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void writePCFToFile(const std::string &filename, std::vector<T> spectrum) {
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std::ofstream file;
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file.open(filename);
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for (auto freq : spectrum) {
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file << std::setprecision(std::numeric_limits<long double>::digits10 + 2)
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<< std::fixed;
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file << freq << std::endl;
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}
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}
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template <typename T>
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void writeRadspecToFile(const std::string &filename,
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std::pair<std::vector<T>, std::vector<T>> radspec) {
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std::ofstream file;
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file.open(filename);
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auto xs = radspec.first;
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auto ys = radspec.second;
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if (xs.size() != ys.size()) {
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std::cerr << "Dimensions of radial spactrum are unequal: xDim: "
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<< xs.size() << " yDim: " << ys.size() << std::endl;
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std::terminate();
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}
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for (int i = 0; i < xs.size(); ++i) {
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file << std::setprecision(std::numeric_limits<long double>::digits10 + 2)
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<< std::fixed;
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file << xs[i] << ", " << ys[i] << std::endl;
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}
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}
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template <typename T>
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void writeRDFtoFile(const std::string &filename,
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std::pair<std::vector<T>, std::vector<int32_t>> radspec) {
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std::ofstream file;
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file.open(filename);
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auto xs = radspec.first;
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auto ys = radspec.second;
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if (xs.size() != ys.size()) {
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std::cerr << "Dimensions of radial spactrum are unequal: xDim: "
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<< xs.size() << " yDim: " << ys.size() << std::endl;
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std::terminate();
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}
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for (int i = 0; i < xs.size(); ++i) {
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file << std::setprecision(std::numeric_limits<long double>::digits10 + 2)
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<< std::fixed;
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file << xs[i] << ", " << ys[i] << std::endl;
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}
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}
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int main() {
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// load Points from file and generate metrics
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auto loadedPoints =
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utk::read_pointsets<long double>("../result_data/sampled.txt")[0];
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auto pointView =
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utk::Pointset<long double>::View(loadedPoints.Data(), NSAMPLES, 2);
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// Radial spectrum
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std::cout << "Calculating radial spectrum with " << NBINS
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<< " bins and resolution " << DIMENSION << std::endl;
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auto radSpec =
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utk::RadialSpectrum(NBINS, 0.5, DIMENSION, true).compute(pointView);
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writeRadspecToFile("radSpec.txt", radSpec);
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for (float i = 0.015625f; i <= 0.5f; i += 0.015625f) {
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// PCF
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std::cout << "Calculating RDF with " << NBINS << " bins for max radius " << i << "…" << std::endl;
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auto rdf = utk::RDF{true, NBINS, i}.compute(pointView);
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writeRDFtoFile("rdffiles/rdf_" + std::to_string(i) + ".txt", rdf);
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}
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// FFT based spectrum
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std::cout << "Calculating spectrum with resolution " << DIMENSION << "…"
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<< std::endl;
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auto spec = utk::Spectrum{DIMENSION, true}.compute(pointView);
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writeSpectrumToFile("spectrum.txt", spec);
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} |