Mantid
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CalculateIqt.h
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1// Mantid Repository : https://github.com/mantidproject/mantid
2//
3// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
4// NScD Oak Ridge National Laboratory, European Spallation Source,
5// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
6// SPDX - License - Identifier: GPL - 3.0 +
7#pragma once
8
11#include "MantidAlgorithms/DllConfig.h"
13
14namespace Mantid {
15namespace Algorithms {
16
17class MANTID_ALGORITHMS_DLL CalculateIqt final : public API::Algorithm {
18public:
19 const std::string name() const override;
20 int version() const override;
21 const std::vector<std::string> seeAlso() const override;
22 const std::string category() const override;
23 const std::string summary() const override;
24
25private:
26 void init() override;
27 void exec() override;
28 std::map<std::string, std::string> validateInputs() override;
29 std::string rebinParamsAsString();
30 API::MatrixWorkspace_sptr monteCarloErrorCalculation(const API::MatrixWorkspace_sptr &sample,
31 const API::MatrixWorkspace_sptr &resolution,
32 const std::string &rebinParams, const int seed,
33 const bool calculateErrors, const int nIterations);
34
35 API::MatrixWorkspace_sptr rebin(const API::MatrixWorkspace_sptr &workspace, const std::string &params);
40 const API::MatrixWorkspace_sptr &rhsWorkspace);
41 API::MatrixWorkspace_sptr cropWorkspace(const API::MatrixWorkspace_sptr &workspace, const double xMax);
43
46 const std::string &rebinParams);
48 const API::MatrixWorkspace_sptr &resolutionWorkspace,
49 const std::string &rebinParams);
51 const std::string &rebinParams, Kernel::MersenneTwister &mTwister);
53 setErrorsToStandardDeviation(const std::vector<API::MatrixWorkspace_sptr> &simulatedWorkspaces);
54 API::MatrixWorkspace_sptr setErrorsToZero(const std::vector<API::MatrixWorkspace_sptr> &simulatedWorkspaces);
55};
56
57} // namespace Algorithms
58} // namespace Mantid
IPeaksWorkspace_sptr workspace
Definition: IndexPeaks.cpp:114
Base class from which all concrete algorithm classes should be derived.
Definition: Algorithm.h:85
API::MatrixWorkspace_sptr removeInvalidData(API::MatrixWorkspace_sptr workspace)
This implements the the Mersenne Twister 19937 pseudo-random number generator algorithm as a specialz...
std::shared_ptr< MatrixWorkspace > MatrixWorkspace_sptr
shared pointer to the matrix workspace base class
void MANTID_KERNEL_DLL rebin(const std::vector< double > &xold, const std::vector< double > &yold, const std::vector< double > &eold, const std::vector< double > &xnew, std::vector< double > &ynew, std::vector< double > &enew, bool distribution, bool addition=false)
Rebins data according to a new output X array.
Helper class which provides the Collimation Length for SANS instruments.