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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,47 +1,36 @@ | ||
| ############################################################################### | ||
| # - Attempt to find Qwt libraries and include files. | ||
| # QWT_INCLUDE_DIR where to find qwt_plot.h, etc. | ||
| # QWT_LIBRARIES libraries to link against | ||
| # QWT_FOUND If false, do not try to use Qwt | ||
| # QWT_VERSION Sets a string containing the version number parsed from | ||
| # qwt_global.h | ||
| # Attempt to find Qwt libraries and include files. | ||
| # Set | ||
| # QWT_INCLUDE_DIR: where to find qwt_plot.h, etc. | ||
| # QWT_LIBRARIES: libraries to link against | ||
| # QWT_VERSION: a string containing the version number | ||
| ############################################################################### | ||
|
|
||
| find_path ( QWT_INCLUDE_DIR qwt.h PATHS | ||
| /usr/local/include | ||
| /usr/include/qwt-qt4 | ||
| /usr/include/qwt | ||
| /usr/include/qwt5 | ||
| /usr/include/qwt5-qt4 | ||
| ${CMAKE_INCLUDE_PATH}/qwt | ||
| ) | ||
| find_library ( QWT_LIBRARY NAMES qwt-qt4 qwt qwt5-qt4 ) | ||
| find_path ( QWT_INCLUDE_DIR qwt.h | ||
| PATHS /opt/include /usr/local/include /usr/include ${CMAKE_INCLUDE_PATH} | ||
| PATH_SUFFIXES qwt5 qwt5-qt4 qwt-qt4 qwt ) | ||
| find_library ( QWT_LIBRARY NAMES qwt5-qt4 qwt-qt4 qwt ) | ||
| find_library ( QWT_LIBRARY_DEBUG qwtd ) | ||
|
|
||
| # handle the QUIETLY and REQUIRED arguments and set QWT_FOUND to TRUE if | ||
| # all listed variables are TRUE | ||
| # in REQUIRED mode: terminate if one of the above find commands failed | ||
| include ( FindPackageHandleStandardArgs ) | ||
| find_package_handle_standard_args( Qwt DEFAULT_MSG QWT_LIBRARY QWT_INCLUDE_DIR ) | ||
|
|
||
| if ( QWT_INCLUDE_DIR ) | ||
| # Look for line in qwt_global.h containing version string | ||
| file ( STRINGS ${QWT_INCLUDE_DIR}/qwt_global.h QWT_VERSION | ||
| REGEX "^#define[ \t]+QWT_VERSION_STR[ \t]+\"[0-9]+.[0-9]+.[0-9]+\"$" ) | ||
| if ( NOT QWT_VERSION ) | ||
| message ( WARNING "Unrecognized Qwt version, cannot find QWT_VERSION_STR in qwt_global.h" ) | ||
| set ( QWT_VERSION "0.0.0" ) | ||
| else() | ||
| # Hack off the portion up to and including the first double quote | ||
| string( REGEX REPLACE "^#define[ \t]+QWT_VERSION_STR[ \t]+\"" "" QWT_VERSION ${QWT_VERSION} ) | ||
| # Hack off the portion from the second double quote to the end of the line | ||
| string( REGEX REPLACE "\"$" "" QWT_VERSION ${QWT_VERSION} ) | ||
| endif() | ||
|
|
||
| if ( QWT_LIBRARY_DEBUG ) | ||
| set( QWT_LIBRARIES optimized ${QWT_LIBRARY} debug ${QWT_LIBRARY_DEBUG} ) | ||
| else () | ||
| set( QWT_LIBRARIES ${QWT_LIBRARY} ) | ||
| endif () | ||
| # Parse version string from qwt_global.h | ||
| file ( STRINGS ${QWT_INCLUDE_DIR}/qwt_global.h QWT_VERSION | ||
| REGEX "^#define[ \t]+QWT_VERSION_STR[ \t]+\"[0-9]+.[0-9]+.[0-9]+\"$" ) | ||
| if ( NOT QWT_VERSION ) | ||
| message ( FATAL_ERROR "Unrecognized Qwt version (cannot find QWT_VERSION_STR in qwt_global.h)" ) | ||
| endif() | ||
| # hack off the portion up to and including the first double quote | ||
| string( REGEX REPLACE "^#define[ \t]+QWT_VERSION_STR[ \t]+\"" "" QWT_VERSION ${QWT_VERSION} ) | ||
| # hack off the portion from the second double quote to the end of the line | ||
| string( REGEX REPLACE "\"$" "" QWT_VERSION ${QWT_VERSION} ) | ||
|
|
||
| if ( QWT_LIBRARY_DEBUG ) | ||
| set( QWT_LIBRARIES optimized ${QWT_LIBRARY} debug ${QWT_LIBRARY_DEBUG} ) | ||
| else () | ||
| set( QWT_LIBRARIES ${QWT_LIBRARY} ) | ||
| endif () | ||
|
|
||
| mark_as_advanced ( QWT_INCLUDE_DIR QWT_LIBRARY QWT_LIBRARY_DEBUG ) |
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56 changes: 56 additions & 0 deletions
56
Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/LorentzCorrection.h
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,56 @@ | ||
| #ifndef MANTID_ALGORITHMS_LORENTZCORRECTION_H_ | ||
| #define MANTID_ALGORITHMS_LORENTZCORRECTION_H_ | ||
|
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| #include "MantidKernel/System.h" | ||
| #include "MantidAPI/Algorithm.h" | ||
|
|
||
| namespace Mantid | ||
| { | ||
| namespace Algorithms | ||
| { | ||
|
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| /** LorentzCorrection : Algorithm Performs a lorentz correction (sin(theta)^2)/(wavelength^4) on a MatrixWorkspace in units of wavelength | ||
| 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> | ||
| */ | ||
| class DLLExport LorentzCorrection : public API::Algorithm | ||
| { | ||
| public: | ||
| LorentzCorrection(); | ||
| virtual ~LorentzCorrection(); | ||
|
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| virtual const std::string name() const; | ||
| virtual int version() const; | ||
| virtual const std::string category() const; | ||
| virtual const std::string summary() const; | ||
|
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| private: | ||
| void init(); | ||
| void exec(); | ||
|
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|
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| }; | ||
|
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|
|
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| } // namespace Algorithms | ||
| } // namespace Mantid | ||
|
|
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| #endif /* MANTID_ALGORITHMS_LORENTZCORRECTION_H_ */ |
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150 changes: 150 additions & 0 deletions
150
Code/Mantid/Framework/Algorithms/src/LorentzCorrection.cpp
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,150 @@ | ||
| #include "MantidAlgorithms/LorentzCorrection.h" | ||
| #include "MantidAPI/MatrixWorkspace.h" | ||
| #include "MantidAPI/Progress.h" | ||
| #include "MantidAPI/WorkspaceValidators.h" | ||
| #include "MantidKernel/MultiThreaded.h" | ||
| #include <boost/make_shared.hpp> | ||
| #include <boost/shared_ptr.hpp> | ||
| #include <cmath> | ||
|
|
||
| namespace Mantid | ||
| { | ||
| namespace Algorithms | ||
| { | ||
| using namespace Mantid::Kernel; | ||
| using namespace Mantid::API; | ||
| using namespace Mantid::Geometry; | ||
| using namespace Mantid::Kernel; | ||
| using Mantid::API::WorkspaceProperty; | ||
|
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| // Register the algorithm into the AlgorithmFactory | ||
| DECLARE_ALGORITHM(LorentzCorrection) | ||
|
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| //---------------------------------------------------------------------------------------------- | ||
| /** Constructor | ||
| */ | ||
| LorentzCorrection::LorentzCorrection() | ||
| { | ||
| } | ||
|
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| //---------------------------------------------------------------------------------------------- | ||
| /** Destructor | ||
| */ | ||
| LorentzCorrection::~LorentzCorrection() | ||
| { | ||
| } | ||
|
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| //---------------------------------------------------------------------------------------------- | ||
|
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| /// Algorithm's version for identification. @see Algorithm::version | ||
| int LorentzCorrection::version() const | ||
| { | ||
| return 1; | ||
| } | ||
| ; | ||
|
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| /// Algorithm's category for identification. @see Algorithm::category | ||
| const std::string LorentzCorrection::category() const | ||
| { | ||
| return "Crystal"; | ||
| } | ||
|
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| /// Algorithm's summary for use in the GUI and help. @see Algorithm::summary | ||
| const std::string LorentzCorrection::summary() const | ||
| { | ||
| return "Performs a white beam Lorentz Correction"; | ||
| } | ||
| ; | ||
|
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| const std::string LorentzCorrection::name() const | ||
| { | ||
| return "LorentzCorrection"; | ||
| } | ||
|
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| //---------------------------------------------------------------------------------------------- | ||
| /** Initialize the algorithm's properties. | ||
| */ | ||
| void LorentzCorrection::init() | ||
| { | ||
|
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| declareProperty( | ||
| new WorkspaceProperty<MatrixWorkspace>("InputWorkspace", "", Direction::Input, | ||
| PropertyMode::Mandatory, boost::make_shared<WorkspaceUnitValidator>("Wavelength")), | ||
| "Input workspace to correct in Wavelength."); | ||
| declareProperty(new WorkspaceProperty<MatrixWorkspace>("OutputWorkspace", "", Direction::Output), | ||
| "An output workspace."); | ||
| } | ||
|
|
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| //---------------------------------------------------------------------------------------------- | ||
| /** Execute the algorithm. | ||
| */ | ||
| void LorentzCorrection::exec() | ||
| { | ||
| MatrixWorkspace_sptr inWS = this->getProperty("InputWorkspace"); | ||
|
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| auto cloneAlg = this->createChildAlgorithm("CloneWorkspace", 0, 0.1); | ||
| cloneAlg->initialize(); | ||
| cloneAlg->setProperty("InputWorkspace", inWS); | ||
| cloneAlg->execute(); | ||
| Workspace_sptr temp = cloneAlg->getProperty("OutputWorkspace"); | ||
| MatrixWorkspace_sptr outWS = boost::dynamic_pointer_cast<MatrixWorkspace>(temp); | ||
|
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| const auto numHistos = inWS->getNumberHistograms(); | ||
| Progress prog(this, 0, 1, numHistos); | ||
| const bool isHist = inWS->isHistogramData(); | ||
|
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| PARALLEL_FOR1(inWS) | ||
| for (int64_t i = 0; i < int64_t(numHistos); ++i) | ||
| { | ||
| PARALLEL_START_INTERUPT_REGION | ||
|
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| const MantidVec& inY = inWS->readY(i); | ||
| const MantidVec& inX = inWS->readX(i); | ||
|
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| MantidVec& outY = outWS->dataY(i); | ||
| MantidVec& outE = outWS->dataE(i); | ||
|
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| IDetector_const_sptr detector; | ||
| try | ||
| { | ||
| detector = inWS->getDetector(i); | ||
| } catch (Exception::NotFoundError&) | ||
| { | ||
| // Catch if no detector. Next line tests whether this happened - test placed | ||
| // outside here because Mac Intel compiler doesn't like 'continue' in a catch | ||
| // in an openmp block. | ||
| } | ||
| // If no detector found, skip onto the next spectrum | ||
| if (!detector) | ||
| continue; | ||
|
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| const double twoTheta = inWS->detectorTwoTheta(detector); | ||
| const double sinTheta = std::sin(twoTheta / 2); | ||
| double sinThetaSq = sinTheta * sinTheta; | ||
|
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| for (size_t j = 0; j < inY.size(); ++j) | ||
| { | ||
| const double wL = isHist ? (0.5 * (inX[j] + inX[j + 1])) : inX[j]; | ||
| if(wL == 0) | ||
| { | ||
| std::stringstream buffer; | ||
| buffer << "Cannot have zero values Wavelength. At workspace index: " << i; | ||
| throw std::runtime_error(buffer.str()); | ||
| } | ||
|
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| double weight = sinThetaSq / (wL * wL * wL * wL); | ||
| outY[j] *= weight; | ||
| outE[j] *= weight; | ||
| } | ||
|
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| prog.report(); | ||
|
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| PARALLEL_END_INTERUPT_REGION | ||
| } | ||
| PARALLEL_CHECK_INTERUPT_REGION | ||
|
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| this->setProperty("OutputWorkspace", outWS); | ||
| } | ||
|
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| } // namespace Algorithms | ||
| } // namespace Mantid |
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