update for eisgenerator compat

CMakeLists.txt

@@ -7,7 +7,11 @@ set(COMMON_SRC_FILES
 	src/common.cpp
 	)
 
+if(WIN32)
+	set(COMMON_LINK_LIBRARIES -leisgenerator_static -static-libgcc -static-libstdc++ -Wl,-Bstatic,--whole-archive -lwinpthread -Wl,--no-whole-archive -Bdynamic)
+else()
 	set(COMMON_LINK_LIBRARIES -leisgenerator)
+endif()
 
 add_compile_options(
 	"-Wall"
@@ -24,7 +28,7 @@ set_property(TARGET madaptoeis PROPERTY CXX_STANDARD 17)
 install(TARGETS madaptoeis RUNTIME DESTINATION bin)
 
 add_executable(relaxistoeis ${COMMON_SRC_FILES} src/relaxis.cpp)
-target_link_libraries(relaxistoeis ${COMMON_LINK_LIBRARIES} -lrelaxisloaderpp)
+target_link_libraries(relaxistoeis -lrelaxisloaderpp -Wl,-allow-multiple-definition ${COMMON_LINK_LIBRARIES})
 set_property(TARGET relaxistoeis PROPERTY CXX_STANDARD 17)
 install(TARGETS relaxistoeis RUNTIME DESTINATION bin)
 

src/relaxis.cpp

@@ -2,6 +2,7 @@
 #include <eisgenerator/translators.h>
 #include <eisgenerator/eistype.h>
 #include <eisgenerator/model.h>
+#include <eisgenerator/basicmath.h>
 #include <relaxisloaderpp/relaxisloaderpp.h>
 #include <iostream>
 #include <string>
@@ -11,6 +12,42 @@
 
 #include "common.h"
 
+static bool saveDataRlx(const rlx::Spectra& data, const std::filesystem::path& outDir, const std::filesystem::path& originFile)
+{
+	std::filesystem::path filename;
+	std::string modelStrWithoutParams = data.model;
+	eis::purgeEisParamBrackets(modelStrWithoutParams);
+
+	size_t classIndex = 0;
+
+	do
+	{
+		filename.assign("relaxisExport_");
+		filename.concat(modelStrWithoutParams);
+		filename.concat("_");
+		filename.concat(std::to_string(classIndex));
+		filename.concat(".csv");
+		++classIndex;
+	} while(std::filesystem::exists(outDir/filename));
+
+	std::vector<std::string> labelNames;
+	std::vector<double> labels;
+	for(auto const& meta : data.metadata)
+	{
+		labelNames.push_back(meta.first);
+		labels.push_back(meta.second);
+	}
+
+	eis::EisSpectra eisSpectra(data.data, data.model, originFile, labels, labelNames);
+
+	if(!eisSpectra.saveToDisk(outDir/filename))
+	{
+		std::cerr<<"Unable to save to "<<outDir/filename;
+		return false;
+	}
+	return true;
+}
+
 int main(int argc, char** argv)
 {
 	if(argc < 2)
@@ -80,7 +117,7 @@ int main(int argc, char** argv)
 
 							std::vector<eis::DataPoint> genData = model.executeSweep(omega);
 
-							fvalue dist = eisNyquistDistance(spectra.data, genData);
+							fvalue dist = eis::eisNyquistDistance(spectra.data, genData);
 
 							if(std::isnan(dist))
 							{
@@ -101,7 +138,7 @@ int main(int argc, char** argv)
 							data.data = spectra.data;
 							data.modelStr = spectra.model;
 							data.id = std::to_string(spectra.id);
-							saveData("relaxis", data, outDir, argv[arg]);
+							saveDataRlx(spectra, outDir, argv[arg]);
 						}
 						catch(const eis::file_error& err)
 						{