From 2d3fdc3cc1c2d682784bed895948411f7e00a73a Mon Sep 17 00:00:00 2001
From: Carl Philipp Klemm <philipp@uvos.xyz>
Date: Mon, 12 Jun 2023 16:29:07 +0200
Subject: [PATCH] improve error handling and filtering
---
src/common.cpp | 2 +-
src/relaxis.cpp | 102 ++++++++++++++++++++++++++++++++++--------------
2 files changed, 73 insertions(+), 31 deletions(-)
diff --git a/src/common.cpp b/src/common.cpp
index 40465cb..045efdc 100644
--- a/src/common.cpp
+++ b/src/common.cpp
@@ -22,7 +22,7 @@ bool saveData(const std::string& exportName, const ModelData& data, const std::f
++classIndex;
} while(std::filesystem::exists(outDir/filename));
- if(!saveToDisk(data.data, outDir/filename, data.modelStr + ", " + data.id + ", \"" + std::string(originFile.filename()) + "\""))
+ if(!saveToDisk(eis::EisSpectra(data.data, data.modelStr, data.id + ", \"" + std::string(originFile.filename()) + "\""), outDir/filename))
{
std::cerr<<"Unable to save to "<<outDir/filename;
return false;
diff --git a/src/relaxis.cpp b/src/relaxis.cpp
index 070c0b2..826eb75 100644
--- a/src/relaxis.cpp
+++ b/src/relaxis.cpp
@@ -1,5 +1,7 @@
+#include <cmath>
#include <eisgenerator/translators.h>
#include <eisgenerator/eistype.h>
+#include <eisgenerator/model.h>
#include <relaxisloaderpp/relaxisloaderpp.h>
#include <iostream>
#include <string>
@@ -40,50 +42,90 @@ int main(int argc, char** argv)
{
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)
+ try
{
- try
+ 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)
+ try
{
- try
+ 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)
+ try
+ {
+ 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;
+ }
+
+ std::cout<<spectra.model<<'\n';
+
+ std::vector<fvalue> omega(spectra.data.size());
+ for(size_t i = 0; i < spectra.data.size(); ++i)
+ omega[i] = spectra.data[i].omega;
+
+ eis::Model model(spectra.model);
+
+ std::vector<eis::DataPoint> genData = model.executeSweep(omega);
+
+ fvalue dist = eisNyquistDistance(spectra.data, genData);
+
+ if(std::isnan(dist))
+ {
+ std::cout<<"skipping spectra "<<spectra.id<<" as this spectra dosent appear to be fitted correctly dist is NAN!\n";
+ continue;
+ }
+ else if(std::isinf(dist) || dist > 2.0)
+ {
+ std::cout<<"skipping spectra "<<spectra.id<<" as this spectra dosent appear to be fitted correctly dist is too large\n";
+ continue;
+ }
+ else
+ {
+ std::cout<<"spectra "<<dist<<" away from theoretical values\n";
+ }
+
+ 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::cout<<"skipping spectra "<<spectra.id<<" as this spectra is not fitted\n";
+ std::cerr<<"error spectra " <<j<<" from file "<<argv[arg]<<" librelaxisloaderpp: "<<err.what()<<std::endl;
continue;
}
- if(spectra.model.empty())
+ catch(const eis::parse_errror& err)
{
- std::cout<<"skipping spectra "<<spectra.id<<" as this spectra has no model\n";
+ std::cerr<<"error spectra " <<j<<" from file "<<argv[arg]<<' '<<err.what()<<std::endl;
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 spectra " <<i<<" from file "<<argv[arg]<<" librelaxisloaderpp: "<<err.what()<<std::endl;
- continue;
}
}
+ catch(const eis::file_error& err)
+ {
+ std::cerr<<"error reading file "<<argv[arg]<<" librelaxisloaderpp: "<<err.what()<<std::endl;
+ continue;
+ }
}
- catch(const eis::file_error& err)
- {
- std::cerr<<"error reading file "<<argv[arg]<<" librelaxisloaderpp: "<<err.what()<<std::endl;
- continue;
- }
+ }
+ catch(const eis::file_error& err)
+ {
+ std::cout<<"Cant load "<<argv[arg]<<' '<<err.what()<<std::endl;
+ continue;
}
}
return 0;
--
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