PeakFunctionIntegrator.h

Go to the documentation of this file.

// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2014 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/DllConfig.h"
#include "MantidAPI/IPeakFunction.h"
#include "gsl/gsl_integration.h"
 
namespace Mantid {
namespace API {
 
struct MANTID_API_DLL IntegrationResult {
  double result;    // integrated intensity
  double error;     // error in result due to numerical errors in the integration algorithm
  size_t intervals; // number of bins in which the integration range is divided
 
  int errorCode;
  bool success;
};
 
class MANTID_API_DLL PeakFunctionIntegrator {
public:
  PeakFunctionIntegrator(double requiredRelativePrecision = 1e-8);
  virtual ~PeakFunctionIntegrator();
 
  void setRequiredRelativePrecision(double newPrecision);
  double requiredRelativePrecision() const;
 
  IntegrationResult integrateInfinity(const IPeakFunction &peakFunction) const;
  IntegrationResult integratePositiveInfinity(const IPeakFunction &peakFunction, double lowerLimit) const;
  IntegrationResult integrateNegativeInfinity(const IPeakFunction &peakFunction, double upperLimit) const;
 
  IntegrationResult integrate(const IPeakFunction &peakFunction, double lowerLimit, double upperLimit) const;
  double integrateError(const IPeakFunction &peakFunction, double lowerLimit, double upperLimit) const;
 
protected:
  gsl_function getGSLFunction(const IPeakFunction &peakFunction) const;
  gsl_integration_workspace *m_integrationWorkspace;
 
  double m_relativePrecision;
};
 
double MANTID_API_DLL gsl_peak_wrapper(double x, void *parameters);
} // namespace API
} // namespace Mantid