From 3d8e4e1e2730fd4d9cdf86274134cc506385b10d Mon Sep 17 00:00:00 2001
From: Carl Philipp Klemm <philipp@uvos.xyz>
Date: Tue, 30 Apr 2024 16:26:13 +0200
Subject: [PATCH] add multiply add and constant score functions
---
basicmath.cpp | 28 ++++++++++++++++++++++++++++
eisgenerator/basicmath.h | 4 ++++
model.cpp | 8 ++++++++
3 files changed, 40 insertions(+)
diff --git a/basicmath.cpp b/basicmath.cpp
index 53cab73..1c0c4f6 100644
--- a/basicmath.cpp
+++ b/basicmath.cpp
@@ -49,6 +49,12 @@ std::complex<fvalue> eis::absGrad(const std::vector<eis::DataPoint>& data, size_
std::abs((data[index+1].im.imag()-data[index-1].im.imag())/(data[index+1].omega-data[index-1].omega)));
}
+void mulitplyAdd(std::vector<eis::DataPoint>& data, fvalue mult, fvalue add)
+{
+ for(eis::DataPoint& point : data)
+ point.im = point.im*mult + add;
+}
+
fvalue eis::grad(const std::vector<fvalue>& data, const std::vector<fvalue>& omega, size_t index)
{
assert(data.size() == omega.size());
@@ -197,6 +203,28 @@ fvalue eis::pearsonCorrelation(const std::vector<eis::DataPoint>& data)
return sumDeltaReDeltaIm/(sqrt(sumDeltaReSq)*sqrt(sumDeltaImSq));
}
+
+fvalue eis::nonConstantScore(const std::vector<eis::DataPoint>& data)
+{
+ std::complex<fvalue> meanValue = mean(data);
+
+ fvalue reDeviationMax = std::numeric_limits<fvalue>::min();
+ fvalue imDeviationMax = std::numeric_limits<fvalue>::min();
+
+ for(const eis::DataPoint& point : data)
+ {
+ fvalue reDeviation = 1-(std::abs(point.im.real())/std::abs(meanValue.real()));
+ fvalue imDeviation = 1-(std::abs(point.im.imag())/std::abs(meanValue.imag()));
+
+ if(reDeviationMax < reDeviation)
+ reDeviationMax = reDeviation;
+ if(imDeviationMax < imDeviation)
+ imDeviationMax = imDeviation;
+ }
+
+ return std::min(reDeviationMax, imDeviationMax);
+}
+
fvalue eis::nyquistAreaVariance(const std::vector<eis::DataPoint>& data, eis::DataPoint* centroid)
{
assert(data.size() > 2);
diff --git a/eisgenerator/basicmath.h b/eisgenerator/basicmath.h
index a05377a..23792e2 100644
--- a/eisgenerator/basicmath.h
+++ b/eisgenerator/basicmath.h
@@ -30,6 +30,8 @@ namespace eis
* @{
*/
+ void mulitplyAdd(std::vector<eis::DataPoint>& data, fvalue mult, fvalue add);
+
/**
* @brief Calculates the element wise absolute gradient at the given point of the data given.
*
@@ -117,6 +119,8 @@ namespace eis
*/
fvalue pearsonCorrelation(const std::vector<eis::DataPoint>& data);
+ fvalue nonConstantScore(const std::vector<eis::DataPoint>& data);
+
/**
* @brief Calculates the variance of the distance of the data from a centroid in the nyquist plane.
*
diff --git a/model.cpp b/model.cpp
index c172bff..6dedc7d 100644
--- a/model.cpp
+++ b/model.cpp
@@ -576,6 +576,14 @@ std::vector<size_t> Model::getRecommendedParamIndices(eis::Range omegaRange, dou
continue;
}
+ fvalue nonConstantess = std::abs(pearsonCorrelation(data));
+ if(nonConstantess < 0.1)
+ {
+ eis::Log(eis::Log::DEBUG)<<"skipping output for step "<<i
+ <<" as data is too constant: "<<nonConstantess;
+ continue;
+ }
+
std::vector<std::vector<eis::DataPoint>>::iterator search;
if(threaded)
{
--
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