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Refs #9445. Created 2D-spectrum calculation test
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Michael Wedel
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May 16, 2014
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Code/Mantid/Framework/SINQ/inc/MantidSINQ/PoldiCalculateSpectrum2D.h
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#ifndef MANTID_SINQ_POLDICALCULATESPECTRUM2D_H_ | ||
#define MANTID_SINQ_POLDICALCULATESPECTRUM2D_H_ | ||
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#include "MantidKernel/System.h" | ||
#include "MantidSINQ/DllConfig.h" | ||
#include "MantidAPI/Algorithm.h" | ||
#include "MantidAPI/IDomainCreator.h" | ||
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namespace Mantid | ||
{ | ||
namespace Poldi | ||
{ | ||
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/** PoldiCalculateSpectrum2D : TODO: DESCRIPTION | ||
Copyright © 2014 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory | ||
This file is part of Mantid. | ||
Mantid is free software; you can redistribute it and/or modify | ||
it under the terms of the GNU General Public License as published by | ||
the Free Software Foundation; either version 3 of the License, or | ||
(at your option) any later version. | ||
Mantid is distributed in the hope that it will be useful, | ||
but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the | ||
GNU General Public License for more details. | ||
You should have received a copy of the GNU General Public License | ||
along with this program. If not, see <http://www.gnu.org/licenses/>. | ||
File change history is stored at: <https://github.com/mantidproject/mantid> | ||
Code Documentation is available at: <http://doxygen.mantidproject.org> | ||
*/ | ||
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class MANTID_SINQ_DLL PoldiCalculateSpectrum2D : public API::Algorithm | ||
{ | ||
public: | ||
PoldiCalculateSpectrum2D(); | ||
virtual ~PoldiCalculateSpectrum2D(); | ||
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virtual const std::string name() const; | ||
virtual int version() const; | ||
virtual const std::string category() const; | ||
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private: | ||
virtual void initDocs(); | ||
void init(); | ||
void exec(); | ||
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}; | ||
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} // namespace Poldi | ||
} // namespace Mantid | ||
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#endif /* MANTID_SINQ_POLDICALCULATESPECTRUM2D_H_ */ |
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Code/Mantid/Framework/SINQ/src/PoldiCalculateSpectrum2D.cpp
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/*WIKI* | ||
TODO: Enter a full wiki-markup description of your algorithm here. You can then use the Build/wiki_maker.py script to generate your full wiki page. | ||
*WIKI*/ | ||
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#include "MantidSINQ/PoldiCalculateSpectrum2D.h" | ||
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#include "MantidDataObjects/Workspace2D.h" | ||
#include "MantidAPI/FunctionFactory.h" | ||
#include "MantidAPI/MultiDomainFunction.h" | ||
#include "MantidSINQ/PoldiUtilities/PoldiSpectrumDomainFunction.h" | ||
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namespace Mantid | ||
{ | ||
namespace Poldi | ||
{ | ||
// Register the algorithm into the AlgorithmFactory | ||
DECLARE_ALGORITHM(PoldiCalculateSpectrum2D) | ||
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using namespace API; | ||
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//---------------------------------------------------------------------------------------------- | ||
/** Constructor | ||
*/ | ||
PoldiCalculateSpectrum2D::PoldiCalculateSpectrum2D() | ||
{ | ||
} | ||
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//---------------------------------------------------------------------------------------------- | ||
/** Destructor | ||
*/ | ||
PoldiCalculateSpectrum2D::~PoldiCalculateSpectrum2D() | ||
{ | ||
} | ||
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//---------------------------------------------------------------------------------------------- | ||
/// Algorithm's name for identification. @see Algorithm::name | ||
const std::string PoldiCalculateSpectrum2D::name() const { return "PoldiCalculateSpectrum2D";} | ||
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/// Algorithm's version for identification. @see Algorithm::version | ||
int PoldiCalculateSpectrum2D::version() const { return 1;} | ||
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/// Algorithm's category for identification. @see Algorithm::category | ||
const std::string PoldiCalculateSpectrum2D::category() const { return "SINQ\\Poldi\\PoldiSet";} | ||
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//---------------------------------------------------------------------------------------------- | ||
/// Sets documentation strings for this algorithm | ||
void PoldiCalculateSpectrum2D::initDocs() | ||
{ | ||
this->setWikiSummary("TODO: Enter a quick description of your algorithm."); | ||
this->setOptionalMessage("TODO: Enter a quick description of your algorithm."); | ||
} | ||
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//---------------------------------------------------------------------------------------------- | ||
/** Initialize the algorithm's properties. | ||
*/ | ||
void PoldiCalculateSpectrum2D::init() | ||
{ | ||
declareProperty(new WorkspaceProperty<MatrixWorkspace>("InputWorkspace","",Direction::Input), "An input workspace."); | ||
declareProperty(new WorkspaceProperty<MatrixWorkspace>("OutputWorkspace","",Direction::Output), "An output workspace."); | ||
} | ||
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//---------------------------------------------------------------------------------------------- | ||
/** Execute the algorithm. | ||
*/ | ||
void PoldiCalculateSpectrum2D::exec() | ||
{ | ||
IFunction_sptr peakFunction = FunctionFactory::Instance().createFunction("PoldiSpectrumDomainFunction"); | ||
peakFunction->setParameter("Area", 1.9854805); | ||
peakFunction->setParameter("Fwhm", 0.00274463167); | ||
peakFunction->setParameter("Centre", 1.1086444); | ||
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boost::shared_ptr<MultiDomainFunction> mdFunction(new MultiDomainFunction); | ||
mdFunction->addFunction(peakFunction); | ||
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MatrixWorkspace_sptr ws = getProperty("InputWorkspace"); | ||
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std::vector<size_t> wsi(400); | ||
for(size_t w = 0; w < wsi.size(); ++w) { | ||
wsi[w] = w; | ||
} | ||
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mdFunction->setDomainIndices(0, wsi); | ||
mdFunction->setLocalAttribute(0, "domains", API::IFunction::Attribute("All")); | ||
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IAlgorithm_sptr fit = createChildAlgorithm("Fit", -1, -1, true); | ||
fit->setProperty("Function", boost::dynamic_pointer_cast<IFunction>(mdFunction)); | ||
fit->setProperty("InputWorkspace", ws); | ||
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for(size_t i = 1; i < 400; ++i) { | ||
fit->setProperty("InputWorkspace_" + boost::lexical_cast<std::string>(i), ws); | ||
//fit->setProperty("WorkspaceIndex_" + boost::lexical_cast<std::string>(i + 1), i); | ||
} | ||
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fit->setProperty("CreateOutput", true); | ||
fit->setProperty("MaxIterations", 0); | ||
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fit->execute(); | ||
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setProperty("OutputWorkspace", fit->getPropertyValue("OutputWorkspace")); | ||
} | ||
// TODO Auto-generated execute stub | ||
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} // namespace Poldi | ||
} // namespace Mantid |