123 lines
No EOL
3.6 KiB
C++
123 lines
No EOL
3.6 KiB
C++
#include "utk/metrics/PCF.hpp"
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#include "utk/metrics/RDF_Heck.hpp"
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#include <filesystem>
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#include <format>
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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<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 spectrum 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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auto resultDataPath =
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std::filesystem::path{"../result_data/pointset_series/pointsets/"};
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auto outputPath =
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std::filesystem::path{"../result_data/pointset_series/radspecs/"};
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std::vector<std::pair<std::string, utk::Pointset<long double>>> pointsets;
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for (const auto &file: std::filesystem::directory_iterator(resultDataPath)) {
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auto loadedPoints =
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utk::read_pointsets<long double>(file.path().c_str())[0];
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auto copiedPointset = utk::Pointset<long double>(std::move(loadedPoints));
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pointsets.emplace_back(file.path().stem().string(), copiedPointset);
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}
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auto radSpec =
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utk::RadialSpectrum(
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0, // Number of bins
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0.5,// Scale for distances (compress / expands bins size)
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0, // Resolution for underlying fourier spectrum, only odd number.
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// If even will use res - 1
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true// Cancel DC
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);
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for (auto &pointset: pointsets) {
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std::cout << "computing radial spectrum for " << pointset.first << std::endl;
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auto result = radSpec.compute(pointset.second);
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writeRadspecToFile((outputPath / pointset.first).string() + ".rdf", result);
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}
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return 0;
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} |