Add relaxis file support

This commit is contained in:
Carl Philipp Klemm
2023-02-10 14:18:57 +01:00
parent 121669078f
commit c78fa5bd42

82
src/relaxis.cpp Normal file
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#include <eisgenerator/translators.h>
#include <eisgenerator/eistype.h>
#include <relaxisloaderpp/relaxisloaderpp.h>
#include <iostream>
#include <string>
#include <vector>
#include <filesystem>
#include <set>
#include "common.h"
int main(int argc, char** argv)
{
if(argc < 2)
{
std::cerr<<"Usage: "<<(argc > 0 ? argv[0] : "NULL")<<" -o [OUTDIR] [FILE(s)]\n";
return 1;
}
std::filesystem::path outDir("./out");
std::set<int> ignoreArgs;
for(int arg = 1; arg < argc; ++arg)
{
if(std::string(argv[arg]) == "-o")
{
ignoreArgs.insert(arg);
if(arg+1 < argc)
{
outDir = argv[arg+1];
ignoreArgs.insert(arg+1);
}
}
}
if(!checkDir(outDir))
return 1;
int arg = 1;
try
{
for(; arg < argc; ++arg)
{
if(ignoreArgs.find(arg) != ignoreArgs.end())
continue;
rlx::File file(argv[arg]);
std::cout<<"Loaded "<<argv[arg]<<" file has "<<file.getProjectCount()<<" project(s)\n";
for(size_t i = 0; i < file.getProjectCount(); ++i)
{
rlx::Project project = file.getProject(i);
std::cout<<"Project "<<i<<" has "<<project.getSpectraCount()<<" spectra\n";
for(size_t j = 0; j < project.getSpectraCount(); ++j)
{
rlx::Spectra spectra = project.getSpectra(j);
if(!spectra.fitted)
{
std::cout<<"skipping spectra "<<spectra.id<<" as this spectra is not fitted\n";
continue;
}
if(spectra.model.empty())
{
std::cout<<"skipping spectra "<<spectra.id<<" as this spectra has no model\n";
continue;
}
ModelData data;
data.data = spectra.data;
data.modelStr = spectra.model;
data.id = std::to_string(spectra.id);
saveData("relaxis", data, outDir, argv[arg]);
}
}
}
}
catch(const eis::file_error& err)
{
std::cerr<<"error reading file "<<argv[arg]<<" librelaxisloaderpp: "<<err.what()<<std::endl;
return 1;
}
}