From 9f680191b9bd0670a1b3ae067abbe1ab3e14d80f Mon Sep 17 00:00:00 2001
From: Carl Philipp Klemm <philipp@uvos.xyz>
Date: Tue, 24 Jan 2023 09:21:52 +0100
Subject: [PATCH] eistype: add exceptions, add function to load eis spectrum
from disk
---
eisgenerator/eistype.h | 27 +++++++++++++++++++++++++++
eistype.cpp | 32 ++++++++++++++++++++++++++++++--
2 files changed, 57 insertions(+), 2 deletions(-)
diff --git a/eisgenerator/eistype.h b/eisgenerator/eistype.h
index c1c0466..116ef3e 100644
--- a/eisgenerator/eistype.h
+++ b/eisgenerator/eistype.h
@@ -8,6 +8,7 @@ typedef double fvalue;
namespace eis
{
+
class DataPoint
{
public:
@@ -109,8 +110,34 @@ public:
static std::vector<Range> rangesFromParamString(const std::string& paramStr, size_t count);
};
+class parse_errror: public std::exception
+{
+ std::string whatStr;
+public:
+ parse_errror(const std::string& whatIn): whatStr(whatIn)
+ {}
+ virtual const char* what() const noexcept override
+ {
+ return whatStr.c_str();
+ }
+};
+
+class file_error: public std::exception
+{
+ std::string whatStr;
+public:
+ file_error(const std::string& whatIn): whatStr(whatIn)
+ {}
+ virtual const char* what() const noexcept override
+ {
+ return whatStr.c_str();
+ }
+};
+
bool saveToDisk(const std::vector<DataPoint>& data, const std::string& fileName, std::string headStr = "");
+std::pair<std::vector<DataPoint>, std::string> loadFromDisk(const std::string& fileName);
+
fvalue eisDistance(const std::vector<eis::DataPoint>& a, const std::vector<eis::DataPoint>& b);
fvalue eisNyquistDistance(const std::vector<eis::DataPoint>& a, const std::vector<eis::DataPoint>& b);
diff --git a/eistype.cpp b/eistype.cpp
index 5c43785..3a9ef70 100644
--- a/eistype.cpp
+++ b/eistype.cpp
@@ -19,8 +19,8 @@ bool eis::saveToDisk(const std::vector<DataPoint>& data, const std::string& file
}
if(!headStr.empty())
- file<<headStr<<'\n';
- file<<"omega,real,im\n";
+ file<<headStr;
+ file<<"\nomega,real,im\n";
for(const eis::DataPoint& point : data)
file<<point.omega<<','<<point.im.real()<<','<<point.im.imag()<<'\n';
@@ -28,6 +28,34 @@ bool eis::saveToDisk(const std::vector<DataPoint>& data, const std::string& file
return true;
}
+std::pair<std::vector<DataPoint>, std::string> eis::loadFromDisk(const std::string& fileName)
+{
+ std::fstream file;
+ file.open(fileName, std::ios_base::in);
+ if(!file.is_open())
+ throw file_error("can not open " + fileName + " for reading\n");
+
+ std::pair<std::vector<DataPoint>, std::string> out;
+
+ std::getline(file, out.second);
+
+ std::string line;
+ std::getline(file, line);
+ while(file.good())
+ {
+ std::getline(file, line);
+ if(line.empty() || line[0] == '#')
+ continue;
+ std::vector<std::string> tokens = tokenize(line, ',');
+ if(tokens.size() != 3)
+ throw file_error("invalid line in " + fileName + ": " + line);
+ out.first.push_back(DataPoint({std::stod(tokens[1]), std::stod(tokens[2])}, std::stod(tokens[0])));
+ }
+
+ file.close();
+ return out;
+}
+
void eis::Range::print(int level) const
{
Log(static_cast<Log::Level>(level))<<"Range "<<start<<'-'<<end<<' '<<count<<" steps"<<(log ? " Log" : "");
--
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