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Fix some issues with the matlabtoeis converter

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This commit is contained in:
Carl Philipp Klemm
2024-10-29 11:48:49 +01:00
parent 04c5aab3e0
commit f1b0a33e71
2 changed files with 44 additions and 31 deletions
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5
CMakeLists.txt
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@ -43,6 +43,11 @@ target_link_libraries(rlxpassfail ${COMMON_LINK_LIBRARIES} -lrelaxisloader)
set_property(TARGET rlxpassfail PROPERTY CXX_STANDARD 17) set_property(TARGET rlxpassfail PROPERTY CXX_STANDARD 17)
install(TARGETS rlxpassfail RUNTIME DESTINATION bin) install(TARGETS rlxpassfail RUNTIME DESTINATION bin)
add_executable(matlabarraytoeis ${COMMON_SRC_FILES} src/matlabarraytoeis.cpp)
target_link_libraries(matlabarraytoeis ${COMMON_LINK_LIBRARIES} -lrelaxisloader)
set_property(TARGET matlabarraytoeis PROPERTY CXX_STANDARD 17)
install(TARGETS matlabarraytoeis RUNTIME DESTINATION bin)
set(CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -s") set(CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -s")

30
src/matlabarraytoeis.cpp
View File

@ -1,26 +1,26 @@
#include <filesystem>
#include <kisstype/spectra.h> #include <kisstype/spectra.h>
#include <iostream> #include <iostream>
#include <fstream> #include <fstream>
#include <kisstype/type.h>
#include <stdexcept> #include <stdexcept>
#include "tokenize.h" #include "tokenize.h"
bool saveData(const std::string& exportName, const eis::Spectra& spectra, const std::filesystem::path& outDir, const std::filesystem::path& originFile) static bool saveData(const std::string& exportName, const eis::Spectra& spectra, const std::filesystem::path& outDir)
{ {
std::filesystem::path filename; std::filesystem::path filename;
size_t index = 0; static size_t index = 0;
do
{
filename.assign(exportName); filename.assign(exportName);
filename.concat("_"); filename.concat("_");
filename.concat(std::to_string(index)); filename.concat(std::to_string(index));
filename.concat(".csv"); filename.concat(".csv");
++index; ++index;
} while(std::filesystem::exists(outDir/filename));
try try
{ {
eis::Spectra(data.data, data.modelStr, data.id + ", \"" + originFile.filename().string() + "\"").saveToDisk(outDir/filename); spectra.saveToDisk(outDir/filename);
return true; return true;
} }
catch(...) catch(...)
@ -29,15 +29,18 @@ bool saveData(const std::string& exportName, const eis::Spectra& spectra, const
} }
} }
std::vector<eis::DataPoint> parseLine(const std::string& line) static std::vector<eis::DataPoint> parseLine(const std::string& line)
{ {
std::vector<eis::DataPoint> data;
std::vector<std::string> tokens = tokenize(line, '\t'); std::vector<std::string> tokens = tokenize(line, '\t');
std::vector<eis::DataPoint> data(tokens.size()/2);
if(tokens.size() % 2 != 0) if(tokens.size() % 2 != 0)
throw std::invalid_argument("Line must have an even number of tokens"); throw std::invalid_argument("Line must have an even number of tokens");
for(size_t i = 0; i < tokens.size()/2; ++i) for(size_t i = 0; i < tokens.size()/2; ++i)
data.push_back({std::stof(tokens[i]), std::stof(tokens[i+tokens.size()/2])}); {
data[tokens.size()/2-i-1].omega = tokens.size()/2-i-1;
data[tokens.size()/2-i-1].im = std::complex<fvalue>(std::stof(tokens[i]), 0-std::stof(tokens[i+tokens.size()/2]));
}
return data; return data;
} }
@ -80,8 +83,13 @@ int main(int argc, char** argv)
std::vector<eis::DataPoint> data = parseLine(eisLine); std::vector<eis::DataPoint> data = parseLine(eisLine);
eis::Spectra spectra (data, "Unkown", argv[2]); eis::Spectra spectra (data, "Unkown", argv[2]);
spectra.addLabel(argv[1], std::stod(rul)); spectra.addLabel(argv[1], std::stod(rul));
if(!std::filesystem::exists(argv[4]))
std::filesystem::create_directory(argv[4]);
if(!saveData("matlab", spectra, argv[4]))
{
std::cout<<"Could not save to"<<argv[4]<<'\n';
return 1;
}
} }
catch(const std::invalid_argument& ex) catch(const std::invalid_argument& ex)
{ {