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GeneralisedSecondDifference.h
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GeneralisedSecondDifference.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2008 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
#include "MantidAPI/Algorithm.h"
#include "MantidAlgorithms/DllConfig.h"
namespace Mantid {
namespace Algorithms {
/** Compute the generalised second difference of a spectrum or several spectra
based on the method
* described by M.A. Mariscotti., Nuclear Instruments and Methods 50, 309
(1967).
* This is used for example by a peak-finding algorithm.
* Given a spectrum with value yi (0<=i<n), the generalised second difference
corresponds to
* the second difference curve, smoothed by averaging each point in the interval
[-m,+m],
* and applying this procedure z times.
Required Properties:
<UL>
<LI> InputWorkspace - The name of the workspace to take as input. </LI>
<LI> OutputWorkspace - The name under which to store the output workspace.
</LI>
<LI> m - The number of points for averaging, i.e. summing will
be done in the range [y(i-m),y(i+m)] </LI>
<LI> z - The number of iteration steps in the averaging
procedure </LI>
<LI> Spectra_min - Lower bound of the spectra range </LI>
<LI> Spectra_max - Upper bound of the spectra range </LI>
</UL>
@author Laurent C Chapon, ISIS Facility Rutherford Appleton Laboratory
@date 26/12/2008
*/
class MANTID_ALGORITHMS_DLL GeneralisedSecondDifference
: public API::Algorithm {
public:
/// Algorithm's name
const std::string name() const override {
return "GeneralisedSecondDifference";
}
/// Summary of algorithms purpose
const std::string summary() const override {
return "Computes the generalised second difference of a spectrum or "
"several spectra.";
}
/// Algorithm's version
int version() const override { return (1); }
/// Algorithm's category for identification
const std::string category() const override { return "Arithmetic"; }
private:
/// Initialisation code
void init() override;
/// Execution code
void exec() override;
///
void computePrefactors();
/// Vector that contains the prefactor coefficients Cij in the range
/// [-zm-1,zm+1]
std::vector<double> m_Cij;
/// Vector that contains the prefactor coefficients Cij^2 in the range
/// [-zm-1,zm+1]
std::vector<double> m_Cij2;
/// Contains the value of the property z
int m_z = 0;
/// Contains the value of the property m
int m_m = 0;
/// Progress reporting
};
} // Namespace Algorithms
} // Namespace Mantid