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CriticalPeakRelaxationRate.cpp
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CriticalPeakRelaxationRate.cpp
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2021 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin
// SPDX - License - Identifier: GPL - 3.0 +
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidCurveFitting/Functions/CriticalPeakRelaxationRate.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid::CurveFitting::Functions {
using namespace CurveFitting;
using namespace Kernel;
using namespace API;
DECLARE_FUNCTION(CriticalPeakRelaxationRate)
void CriticalPeakRelaxationRate::init() {
declareParameter("Scaling", 1.0, "coefficient for scaling");
declareParameter("CriticalTemp", 0.01, "coefficient for critical temperature");
declareParameter("Exponent", 1.0, "coefficient for critical exponent");
declareParameter("Background1", 0.0, "coefficient for non-critical background when x < Critical Temperature");
declareParameter("Background2", 0.0, "coefficient for non-critical background when x > Critical Temperature");
declareAttribute("Delta", Attribute(0.01));
}
void CriticalPeakRelaxationRate::function1D(double *out, const double *xValues, const size_t nData) const {
const double Scale = getParameter("Scaling");
const double Tc = getParameter("CriticalTemp");
const double Exp = getParameter("Exponent");
const double Bg1 = getParameter("Background1");
const double Bg2 = getParameter("Background2");
const double Delta = getAttribute("Delta").asDouble();
for (size_t i = 0; i < nData; i++) {
if (xValues[i] + Delta < Tc || xValues[i] - Delta > Tc) {
auto denom = pow(fabs(xValues[i] - Tc), Exp);
if (xValues[i] < Tc) {
out[i] = Bg1 + Scale / denom;
} else {
out[i] = Bg2 + Scale / denom;
}
} else {
out[i] = 1e6;
}
}
}
} // namespace Mantid::CurveFitting::Functions