From 9cd8b28e116a4b5445dacb6b919da68b49a5cc2e Mon Sep 17 00:00:00 2001
From: Carl Philipp Klemm <philipp@uvos.xyz>
Date: Fri, 6 Jan 2023 14:44:27 +0100
Subject: [PATCH] eistype: add operator== to DataPoint, add sweep distance
calculation function, add ability to add custom header to saved spectra
---
eisgenerator/eistype.h | 12 +++++++++---
eistype.cpp | 18 +++++++++++++++++-
2 files changed, 26 insertions(+), 4 deletions(-)
diff --git a/eisgenerator/eistype.h b/eisgenerator/eistype.h
index 595ecb8..6224047 100644
--- a/eisgenerator/eistype.h
+++ b/eisgenerator/eistype.h
@@ -7,10 +7,15 @@ typedef double fvalue;
namespace eis
{
-struct DataPoint
+class DataPoint
{
+public:
std::complex<fvalue> im;
fvalue omega;
+ bool operator==(const DataPoint& in)
+ {
+ return im == in.im;
+ }
};
class Range
@@ -32,7 +37,6 @@ public:
{
return at(step);
}
-
fvalue at(size_t index) const
{
assert(index < count);
@@ -69,6 +73,8 @@ public:
static std::vector<Range> rangesFromParamString(const std::string& paramStr, size_t count);
};
-bool saveToDisk(const std::vector<DataPoint>& data, std::string fileName);
+bool saveToDisk(const std::vector<DataPoint>& data, const std::string& fileName, std::string headStr = "");
+
+double eisDistance(const std::vector<eis::DataPoint>& a, const std::vector<eis::DataPoint>& b);
}
diff --git a/eistype.cpp b/eistype.cpp
index 148487b..6276fdd 100644
--- a/eistype.cpp
+++ b/eistype.cpp
@@ -7,7 +7,7 @@
using namespace eis;
-bool eis::saveToDisk(const std::vector<DataPoint>& data, std::string fileName)
+bool eis::saveToDisk(const std::vector<DataPoint>& data, const std::string& fileName, std::string headStr)
{
std::fstream file;
file.open(fileName, std::ios_base::out | std::ios_base::trunc);
@@ -17,6 +17,8 @@ bool eis::saveToDisk(const std::vector<DataPoint>& data, std::string fileName)
return false;
}
+ if(!headStr.empty())
+ file<<headStr<<'\n';
file<<"omega,real,im\n";
for(const eis::DataPoint& point : data)
@@ -92,3 +94,17 @@ bool eis::Range::isSane() const
return false;
return true;
}
+
+double eis::eisDistance(const std::vector<eis::DataPoint>& a, const std::vector<eis::DataPoint>& b)
+{
+ assert(a.size() == b.size());
+
+ double accum = 0;
+ for(size_t i = 0; i < a.size(); ++i)
+ {
+ double diffRe = std::pow(b[i].im.real() - a[i].im.real(), 2);
+ double diffIm = std::pow(b[i].im.imag() - a[i].im.imag(), 2);
+ accum += std::sqrt(diffRe+diffIm);
+ }
+ return accum/a.size();
+}
--
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