improve fvalueEq

add test case for deduplication

basicmath.cpp

 #include "basicmath.h"
 #include <algorithm>
 #include <random>
+#include <limits>
 
 #include "eistype.h"
 
@@ -213,15 +214,15 @@ void eis::removeDuplicates(std::vector<eis::DataPoint>& data)
 	std::sort(data.begin(), data.end());
 
 	std::vector<eis::DataPoint>::iterator it = data.begin();
-	while((it = std::adjacent_find(data.begin(), data.end())) != data.end())
+	while((it = std::adjacent_find(data.begin(), data.end(),
+		[](const eis::DataPoint& a, const eis::DataPoint& b){return fvalueEq(a.omega, b.omega);})) != data.end())
 	{
-		std::cout<<"erase\n";
 		data.erase(it);
 	}
-
 }
 
-bool eis::fvalueEq(fvalue a, fvalue b, fvalue epsilon)
+bool eis::fvalueEq(fvalue a, fvalue b, unsigned int ulp)
 {
+	fvalue epsilon = std::numeric_limits<fvalue>::epsilon()*std::fabs(a+b)*ulp;
 	return a - epsilon < b && a + epsilon > b;
 }

eisgenerator/basicmath.h

@@ -18,6 +18,6 @@ namespace eis
 	fvalue maximumNyquistJump(const std::vector<eis::DataPoint>& data);
 	void noise(std::vector<eis::DataPoint>& data, double amplitude, bool relative);
 	void removeDuplicates(std::vector<eis::DataPoint>& data);
-	bool fvalueEq(fvalue a, fvalue b, fvalue epsilon = 0.001);
+	bool fvalueEq(fvalue a, fvalue b, unsigned int ulp = 4);
 }
 

test.cpp

@@ -334,6 +334,24 @@ static bool testEisNyquistDistance()
 	}
 }
 
+static bool testLoadDeduplication()
+{
+	const std::filesystem::path filePath("./relaxis_rp-rp_0.csv");
+	eis::EisSpectra spectra(filePath);
+	if(spectra.data.empty())
+	{
+		eis::Log(eis::Log::INFO)<<__func__<<" Unable to load "<<filePath<<" skiping test";
+		return true;
+	}
+
+	if(eis::fvalueEq(spectra.data[spectra.data.size()-1].omega, spectra.data[spectra.data.size()-2].omega+2))
+	{
+		eis::Log(eis::Log::ERROR)<<__func__<<" deduplication failed";
+		return false;
+	}
+	return true;
+}
+
 static bool testTranslators()
 {
 	const std::string boukamp("R(RP)");
@@ -383,6 +401,9 @@ int main(int argc, char** argv)
 	if(!modelConsistancy())
 		return 2;
 
+	if(!testLoadDeduplication())
+		return 3;
+
 	if(!runRescale())
 		return 3;