From b013b29f5787551f97ab6bdd15c1348bc2da30cc Mon Sep 17 00:00:00 2001
From: Wenduo Zhou <zhouw@ornl.gov>
Date: Thu, 26 Jul 2012 12:11:33 -0400
Subject: [PATCH] Rename LeBailFit2 to LeBailFit and fix the codes. Refs
#5306.
---
.../Framework/CurveFitting/CMakeLists.txt | 6 ++--
.../inc/MantidCurveFitting/LeBailFit.h | 14 ++++----
.../Framework/CurveFitting/src/LeBailFit.cpp | 34 +++++++++----------
.../CurveFitting/test/LeBailFitTest.h | 22 ++++++------
4 files changed, 38 insertions(+), 38 deletions(-)
diff --git a/Code/Mantid/Framework/CurveFitting/CMakeLists.txt b/Code/Mantid/Framework/CurveFitting/CMakeLists.txt
index f8eb0bdba96..773c698090e 100644
--- a/Code/Mantid/Framework/CurveFitting/CMakeLists.txt
+++ b/Code/Mantid/Framework/CurveFitting/CMakeLists.txt
@@ -37,7 +37,7 @@ set ( SRC_FILES
src/IDomainCreator.cpp
src/IFuncMinimizer.cpp
src/IkedaCarpenterPV.cpp
- src/LeBailFit2.cpp
+ src/LeBailFit.cpp
src/LeBailFunction.cpp
src/LevenbergMarquardtMDMinimizer.cpp
src/LevenbergMarquardtMinimizer.cpp
@@ -119,7 +119,7 @@ set ( INC_FILES
inc/MantidCurveFitting/IFuncMinimizer.h
inc/MantidCurveFitting/IkedaCarpenterPV.h
inc/MantidCurveFitting/Jacobian.h
- inc/MantidCurveFitting/LeBailFit2.h
+ inc/MantidCurveFitting/LeBailFit.h
inc/MantidCurveFitting/LeBailFunction.h
inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h
inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h
@@ -183,7 +183,7 @@ set ( TEST_FILES
test/GaussianTest.h
test/HighOrderPolynomialBackgroundTest.h
test/IkedaCarpenterPVTest.h
- test/LeBailFit2Test.h
+ test/LeBailFitTest.h
test/LeBailFunctionTest.h
test/LeastSquaresTest.h
test/LevenbergMarquardtMDTest.h
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h
index 055bc38ed2d..893ec96ad04 100644
--- a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h
+++ b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h
@@ -1,5 +1,5 @@
-#ifndef MANTID_CURVEFITTING_LEBAILFIT2_H_
-#define MANTID_CURVEFITTING_LEBAILFIT2_H_
+#ifndef MANTID_CURVEFITTING_LEBAILFIT_H_
+#define MANTID_CURVEFITTING_LEBAILFIT_H_
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
@@ -18,7 +18,7 @@ namespace Mantid
namespace CurveFitting
{
- /** LeBailFit2 : Algorithm to do Le Bail Fit.
+ /** LeBailFit : Algorithm to do Le Bail Fit.
The workflow and architecture of this algorithm is different from LeBailFit,
though they hold the same interface to users.
@@ -42,11 +42,11 @@ namespace CurveFitting
File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
- class DLLExport LeBailFit2 : public API::Algorithm
+ class DLLExport LeBailFit : public API::Algorithm
{
public:
- LeBailFit2();
- virtual ~LeBailFit2();
+ LeBailFit();
+ virtual ~LeBailFit();
/// Algorithm's name for identification overriding a virtual method
virtual const std::string name() const { return "LeBailFit";}
@@ -120,4 +120,4 @@ namespace CurveFitting
} // namespace CurveFitting
} // namespace Mantid
-#endif /* MANTID_CURVEFITTING_LEBAILFIT2_H_ */
+#endif /* MANTID_CURVEFITTING_LEBAILFIT_H_ */
diff --git a/Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp b/Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp
index 01d159c7162..ff4f0ee9381 100644
--- a/Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp
+++ b/Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/LeBailFit2.h"
+#include "MantidCurveFitting/LeBailFit.h"
#include "MantidKernel/ListValidator.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/FunctionDomain1D.h"
@@ -16,26 +16,26 @@ bool compDescending(int a, int b)
return (a >= b);
}
-DECLARE_ALGORITHM(LeBailFit2)
+DECLARE_ALGORITHM(LeBailFit)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
-LeBailFit2::LeBailFit2()
+LeBailFit::LeBailFit()
{
}
//----------------------------------------------------------------------------------------------
/** Destructor
*/
-LeBailFit2::~LeBailFit2()
+LeBailFit::~LeBailFit()
{
}
/*
* Sets documentation strings for this algorithm
*/
-void LeBailFit2::initDocs()
+void LeBailFit::initDocs()
{
this->setWikiSummary("Do LeBail Fit to a spectrum of powder diffraction data.. ");
this->setOptionalMessage("Do LeBail Fit to a spectrum of powder diffraction data. ");
@@ -44,7 +44,7 @@ void LeBailFit2::initDocs()
/*
* Define the input properties for this algorithm
*/
-void LeBailFit2::init()
+void LeBailFit::init()
{
this->declareProperty(new API::WorkspaceProperty<API::MatrixWorkspace>("InputWorkspace", "", Direction::Input),
"Input workspace containing the data to fit by LeBail algorithm.");
@@ -75,7 +75,7 @@ void LeBailFit2::init()
/*
* Implement abstract Algorithm methods
*/
-void LeBailFit2::exec()
+void LeBailFit::exec()
{
// 1. Get input
dataWS = this->getProperty("InputWorkspace");
@@ -184,7 +184,7 @@ void LeBailFit2::exec()
/*
* Calculate peaks' intensities
-void LeBailFit2::calculatePeaksHeights(size_t workspaceindex)
+void LeBailFit::calculatePeaksHeights(size_t workspaceindex)
{
// 1. Set parameters to each peak (no tie)
std::map<int, CurveFitting::ThermalNeutronBk2BkExpConvPV_sptr>::iterator pit;
@@ -210,7 +210,7 @@ void LeBailFit2::calculatePeaksHeights(size_t workspaceindex)
/*
* LeBail Fitting
*/
-void LeBailFit2::doLeBailFit(size_t workspaceindex)
+void LeBailFit::doLeBailFit(size_t workspaceindex)
{
throw std::runtime_error("doLeBailFit has not been implemented yet.");
@@ -220,7 +220,7 @@ void LeBailFit2::doLeBailFit(size_t workspaceindex)
/*
* Calcualte LeBail diffraction pattern
*/
-void LeBailFit2::calculatePattern(size_t workspaceindex)
+void LeBailFit::calculatePattern(size_t workspaceindex)
{
// 1. Generate domain and value
const std::vector<double> x = dataWS->readX(0);
@@ -302,7 +302,7 @@ void LeBailFit2::calculatePattern(size_t workspaceindex)
* (a) Assign peaks into groups; each group contains either (1) one peak or (2) peaks overlapped
* (b) Calculate peak intensities for every peak per group
*/
-void LeBailFit2::calPeaksIntensities(std::vector<std::pair<int, double> >& peakheights, size_t workspaceindex)
+void LeBailFit::calPeaksIntensities(std::vector<std::pair<int, double> >& peakheights, size_t workspaceindex)
{
std::cout << "--------- Calculate (ALL) Peaks' Heights" << std::endl;
@@ -415,7 +415,7 @@ void LeBailFit2::calPeaksIntensities(std::vector<std::pair<int, double> >& peakh
* (4) Peaks' boundaries
* Output: Peak intensities (index is peaks' indicies in mPeakHKL2)
*/
-void LeBailFit2::calPerGroupPeaksIntensities(size_t wsindex, std::set<size_t> peakindices, std::vector<double> peakcenters,
+void LeBailFit::calPerGroupPeaksIntensities(size_t wsindex, std::set<size_t> peakindices, std::vector<double> peakcenters,
std::vector<std::pair<double, double> > peakboundaries, std::vector<std::pair<size_t, double> >& peakintensities)
{
std::cout << "----------- calPerGroupPeakIntensity() ----------" << std::endl;
@@ -548,7 +548,7 @@ void LeBailFit2::calPerGroupPeaksIntensities(size_t wsindex, std::set<size_t> pe
* WARNING: This algorithm fails if the peak only has the width of very few pixels.
* because it heavily replies on observation data.
*/
-bool LeBailFit2::observePeakRange(size_t workspaceindex, double center, double fwhm,
+bool LeBailFit::observePeakRange(size_t workspaceindex, double center, double fwhm,
double& tof_center, double& tof_left, double& tof_right)
{
// 0. Get access to data
@@ -665,7 +665,7 @@ bool LeBailFit2::observePeakRange(size_t workspaceindex, double center, double f
/*
* From table/map to set parameters to an individual peak
*/
-void LeBailFit2::setPeakParameters(CurveFitting::ThermalNeutronBk2BkExpConvPV_sptr peak, double peakheight)
+void LeBailFit::setPeakParameters(CurveFitting::ThermalNeutronBk2BkExpConvPV_sptr peak, double peakheight)
{
// 1. Set parameters ...
std::map<std::string, std::pair<double, char> >::iterator pit;
@@ -719,7 +719,7 @@ void LeBailFit2::setPeakParameters(CurveFitting::ThermalNeutronBk2BkExpConvPV_sp
/*
* Generate a list of peaks from input
*/
-void LeBailFit2::generatePeaksFromInput()
+void LeBailFit::generatePeaksFromInput()
{
// There is no need to consider peak's order now due to map
for (size_t ipk = 0; ipk < mPeakHKLs.size(); ++ipk)
@@ -742,7 +742,7 @@ void LeBailFit2::generatePeaksFromInput()
/*
* Parse the input TableWorkspace to some maps for easy access
*/
-void LeBailFit2::importParametersTable()
+void LeBailFit::importParametersTable()
{
// 1. Check column orders
std::vector<std::string> colnames = parameterWS->getColumnNames();
@@ -790,7 +790,7 @@ void LeBailFit2::importParametersTable()
/*
* Parse the reflections workspace to a list of reflections;
*/
-void LeBailFit2::importReflections()
+void LeBailFit::importReflections()
{
// 1. Check column orders
std::vector<std::string> colnames = reflectionWS->getColumnNames();
diff --git a/Code/Mantid/Framework/CurveFitting/test/LeBailFitTest.h b/Code/Mantid/Framework/CurveFitting/test/LeBailFitTest.h
index a2c13f6cb21..ee95238b5e8 100644
--- a/Code/Mantid/Framework/CurveFitting/test/LeBailFitTest.h
+++ b/Code/Mantid/Framework/CurveFitting/test/LeBailFitTest.h
@@ -1,5 +1,5 @@
-#ifndef MANTID_CURVEFITTING_LEBAILFIT2TEST_H_
-#define MANTID_CURVEFITTING_LEBAILFIT2TEST_H_
+#ifndef MANTID_CURVEFITTING_LEBAILFITTEST_H_
+#define MANTID_CURVEFITTING_LEBAILFITTEST_H_
#include <cxxtest/TestSuite.h>
#include "MantidKernel/Timer.h"
@@ -12,22 +12,22 @@
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidCurveFitting/LeBailFit2.h"
+#include "MantidCurveFitting/LeBailFit.h"
using namespace Mantid;
using namespace Mantid::CurveFitting;
using namespace Mantid::API;
using namespace WorkspaceCreationHelper;
-using Mantid::CurveFitting::LeBailFit2;
+using Mantid::CurveFitting::LeBailFit;
-class LeBailFit2Test : public CxxTest::TestSuite
+class LeBailFitTest : public CxxTest::TestSuite
{
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static LeBailFit2Test *createSuite() { return new LeBailFit2Test(); }
- static void destroySuite( LeBailFit2Test *suite ) { delete suite; }
+ static LeBailFitTest *createSuite() { return new LeBailFitTest(); }
+ static void destroySuite( LeBailFitTest *suite ) { delete suite; }
/*
* Fundamental test to calcualte 2 peak w/o background.
@@ -61,7 +61,7 @@ public:
AnalysisDataService::Instance().addOrReplace("Reflections", hklws);
// 2. Initialize the algorithm
- LeBailFit2 lbfit;
+ LeBailFit lbfit;
TS_ASSERT_THROWS_NOTHING(lbfit.initialize());
TS_ASSERT(lbfit.isInitialized());
@@ -136,7 +136,7 @@ public:
AnalysisDataService::Instance().addOrReplace("Reflections", hklws);
// 2. Create LeBailFit and do the calculation
- LeBailFit2 lbfit;
+ LeBailFit lbfit;
lbfit.initialize();
// 3. Computation
@@ -263,7 +263,7 @@ public:
AnalysisDataService::Instance().addOrReplace("Reflections", hklws);
// 2. Create LeBailFit and do the calculation
- LeBailFit2 lbfit;
+ LeBailFit lbfit;
lbfit.initialize();
// 3. Computation
@@ -722,4 +722,4 @@ public:
};
-#endif /* MANTID_CURVEFITTING_LEBAILFIT2TEST_H_ */
+#endif /* MANTID_CURVEFITTING_LEBAILFITTEST_H_ */
--
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