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Re #8432. Exchanged function string into a function pointer.
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@peterfpeterson
peterfpeterson committed Nov 22, 2013
1 parent 2e67ecd commit 8727936
Showing 1 changed file with 75 additions and 69 deletions.
144 changes: 75 additions & 69 deletions Code/Mantid/Framework/Crystal/src/SCDCalibratePanels.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -75,7 +75,6 @@ To do so select the workspace, which you have calibrated as the InputWorkspace a
#include "MantidGeometry/IComponent.h"
#include "MantidGeometry/Instrument/RectangularDetector.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/EnabledWhenProperty.h"
#include "MantidGeometry/Instrument/ParameterMap.h"
Expand Down Expand Up @@ -701,14 +700,10 @@ namespace Mantid
AnalysisDataService::Instance().addOrReplace("xxx",peaksWs );
}

string FunctionArgument;
string Constraints("");
string TiesArgument;
int i = -1;//position in ParamResults Array.
int nbanksSoFar = 0;


FrameworkManager::Instance();
bool first = false;
int NGroups = (int)Groups.size();
double detWidthScale0,
Expand All @@ -723,8 +718,8 @@ namespace Mantid

//------------------- For each Group set up Function, --------------------------
//---------------Ties, and Constraint Properties for Fit algorithm--------------------
ostringstream oss (ostringstream::out);
oss.precision(4);

// set up the string for specifying groups
string BankNameString = "";
for(auto group = Groups.begin(); group !=Groups.end(); ++group)
{
Expand All @@ -746,24 +741,34 @@ namespace Mantid
if( getProperty("AllowSampleShift"))
SampOffsets=1;

oss << "name=SCDPanelErrors, PeakWorkspaceName=\""<<PeakWSName<<"\",";
oss << "a=" << fixed << a << "," << "b=" << fixed << b << "," << "c=" << fixed << c << "," << "alpha=" << fixed << alpha << "," << "beta=" << fixed << beta
<< "," << "gamma=" << fixed << gamma << ","<< "NGroups="<<NGroups<<",BankNames ="<<BankNameString<<","
<<"startX=-1,endX=-1,RotateCenters="<<RotGroups<<",SampleOffsets="<<SampOffsets<<",";
oss<< "l0=" << fixed << L0 << "," << "t0=" << fixed << T0 ;

ostringstream oss1 ( ostringstream::out);

// first round of function setup
IFunction_sptr iFunc = FunctionFactory::Instance().createFunction("SCDPanelErrors");
iFunc->setAttributeValue("PeakWorkspaceName", PeakWSName);
iFunc->setAttributeValue("a", a);
iFunc->setAttributeValue("b", b);
iFunc->setAttributeValue("c", c);
iFunc->setAttributeValue("alpha", alpha);
iFunc->setAttributeValue("beta", beta);
iFunc->setAttributeValue("gamma", gamma);
iFunc->setAttributeValue("NGroups", NGroups);
iFunc->setAttributeValue("BankNames", BankNameString);
iFunc->setAttributeValue("startX", -1);
iFunc->setAttributeValue("endX", -1);
iFunc->setAttributeValue("RotateCenters", RotGroups);
iFunc->setAttributeValue("SampleOffsets", SampOffsets);
iFunc->setParameter("l0", L0);
iFunc->setParameter("t0", T0);

double maxXYOffset = getProperty("MaxPositionChange_meters");

ostringstream oss1 ( ostringstream::out);
oss1.precision( 4);
int i = -1;//position in ParamResults Array.
for(auto group = Groups.begin(); group !=Groups.end(); ++group)
{
i++;

boost::shared_ptr<const RectangularDetector> bank_rect;
string Gprefix ="f"+ boost::lexical_cast<string>(i)+"_";
string paramPrefix ="f"+ boost::lexical_cast<string>(i)+"_";


string name = group->front();
Expand All @@ -782,12 +787,14 @@ namespace Mantid
,detHeightScale0, Xoffset0, Yoffset0, Zoffset0, Xrot0, Yrot0, Zrot0);

// --- set Function property ----------------------

oss << "," << Gprefix<<"detWidthScale=" << fixed << detWidthScale0 << ","
<< Gprefix<<"detHeightScale=" << fixed << detHeightScale0 << ","
<<Gprefix<<"Xoffset=" << Xoffset0 << "," <<Gprefix<< "Yoffset=" << Yoffset0 << "," << Gprefix<<"Zoffset=";

oss << Zoffset0 << "," << Gprefix<<"Xrot=" << Xrot0 << "," << Gprefix<<"Yrot=" << Yrot0 << "," <<Gprefix<< "Zrot=" << Zrot0 ;
iFunc->setParameter(paramPrefix+"detWidthScale", detWidthScale0);
iFunc->setParameter(paramPrefix+"detHeightScale", detHeightScale0);
iFunc->setParameter(paramPrefix+"Xoffset", Xoffset0);
iFunc->setParameter(paramPrefix+"Yoffset", Yoffset0);
iFunc->setParameter(paramPrefix+"Zoffset", Zoffset0);
iFunc->setParameter(paramPrefix+"Xrot", Xrot0);
iFunc->setParameter(paramPrefix+"Yrot", Yrot0);
iFunc->setParameter(paramPrefix+"Zrot", Zrot0);

int startX = bounds[ nbanksSoFar ];
int endXp1 = bounds[ nbanksSoFar + group->size() ];
Expand Down Expand Up @@ -815,7 +822,7 @@ namespace Mantid

first = false;

oss1 <<Gprefix<<"detWidthScale=" << fixed << detWidthScale0;
oss1 <<paramPrefix<<"detWidthScale=" << fixed << detWidthScale0;
}

if( !use_PanelHeight)
Expand All @@ -825,7 +832,7 @@ namespace Mantid

first = false;

oss1 << Gprefix<<"detHeightScale=" << fixed << detHeightScale0;
oss1 << paramPrefix<<"detHeightScale=" << fixed << detHeightScale0;
}


Expand All @@ -837,9 +844,9 @@ namespace Mantid

first = false;

oss1 <<Gprefix<<"Xoffset=" << Xoffset0 << "," <<
Gprefix<<"Yoffset=" <<Yoffset0 << "," <<
Gprefix<<"Zoffset=" << Zoffset0;
oss1 <<paramPrefix<<"Xoffset=" << Xoffset0 << "," <<
paramPrefix<<"Yoffset=" <<Yoffset0 << "," <<
paramPrefix<<"Zoffset=" << Zoffset0;
}

if( ! use_PanelOrientation )
Expand All @@ -849,9 +856,9 @@ namespace Mantid

first = false;

oss1 << Gprefix<<"Xrot=" << Xrot0 << ","
<<Gprefix<<"Yrot=" << Yrot0<< ","
<<Gprefix<<"Zrot=" << Zrot0;
oss1 << paramPrefix<<"Xrot=" << Xrot0 << ","
<<paramPrefix<<"Yrot=" << Yrot0<< ","
<<paramPrefix<<"Zrot=" << Zrot0;
}

//--------------- set Constraints Property -------------------------------
Expand All @@ -862,13 +869,13 @@ namespace Mantid
oss2 << (MIN_DET_HW_SCALE*L0) << "<" << "l0<" << (MAX_DET_HW_SCALE*L0 ) << ",-5<" << "t0<5" ;

double MaxRotOffset = getProperty("MaxRotationChangeDegrees");
oss2 << "," << (MIN_DET_HW_SCALE)*detWidthScale0 << "<" << Gprefix << "detWidthScale<" << (MAX_DET_HW_SCALE)*detWidthScale0
<< "," << (MIN_DET_HW_SCALE)*detHeightScale0 << "<" << Gprefix << "detHeightScale<" << (MAX_DET_HW_SCALE)*detHeightScale0
<<","<< -maxXYOffset+Xoffset0 << "<" << Gprefix << "Xoffset<" << maxXYOffset+Xoffset0
<< "," << -maxXYOffset+Yoffset0 << "<" << Gprefix << "Yoffset<" << maxXYOffset+Yoffset0<<
"," << -maxXYOffset+Zoffset0 << "<" << Gprefix << "Zoffset<" << maxXYOffset+Zoffset0<<","
<< -MaxRotOffset<<"<" << Gprefix << "Xrot<"<<MaxRotOffset<<",-"<<MaxRotOffset<<"<"
<< Gprefix << "Yrot<"<<MaxRotOffset<<",-"<<MaxRotOffset<< "<" << Gprefix << "Zrot<"<<MaxRotOffset
oss2 << "," << (MIN_DET_HW_SCALE)*detWidthScale0 << "<" << paramPrefix << "detWidthScale<" << (MAX_DET_HW_SCALE)*detWidthScale0
<< "," << (MIN_DET_HW_SCALE)*detHeightScale0 << "<" << paramPrefix << "detHeightScale<" << (MAX_DET_HW_SCALE)*detHeightScale0
<<","<< -maxXYOffset+Xoffset0 << "<" << paramPrefix << "Xoffset<" << maxXYOffset+Xoffset0
<< "," << -maxXYOffset+Yoffset0 << "<" << paramPrefix << "Yoffset<" << maxXYOffset+Yoffset0<<
"," << -maxXYOffset+Zoffset0 << "<" << paramPrefix << "Zoffset<" << maxXYOffset+Zoffset0<<","
<< -MaxRotOffset<<"<" << paramPrefix << "Xrot<"<<MaxRotOffset<<",-"<<MaxRotOffset<<"<"
<< paramPrefix << "Yrot<"<<MaxRotOffset<<",-"<<MaxRotOffset<< "<" << paramPrefix << "Zrot<"<<MaxRotOffset
;


Expand All @@ -883,56 +890,55 @@ namespace Mantid

if( getProperty("AllowSampleShift"))
{
// TODO the function should support setting the sample position even when it isn't be refined
iFunc->setAttributeValue("SampleX", samplePos.X());
iFunc->setAttributeValue("SampleY", samplePos.Y());
iFunc->setAttributeValue("SampleZ", samplePos.Z());

oss << ",SampleX=" << samplePos.X() << ",SampleY=" << samplePos.Y() << ",SampleZ="
<< samplePos.Z();

ostringstream oss2(ostringstream::out);
if (!Constraints.empty())
oss2 << ",";
ostringstream oss2(ostringstream::out);
if (!Constraints.empty())
oss2 << ",";

oss2 << samplePos.X()-maxXYOffset << "<SampleX<" <<samplePos.X()+ maxXYOffset << "," <<
samplePos.Y()-maxXYOffset << "<SampleY<"
oss2 << samplePos.X()-maxXYOffset << "<SampleX<" <<samplePos.X()+ maxXYOffset << ","
<< samplePos.Y()-maxXYOffset << "<SampleY<"
<< samplePos.Y()+maxXYOffset << "," << samplePos.Z()-maxXYOffset << "<SampleZ<" << samplePos.Z()+maxXYOffset;

Constraints += oss2.str();
}
Constraints += oss2.str();
}

if(!useL0)
{
if( !first)
oss1 << ",";
if(!useL0)
{
if( !first)
oss1 << ",";

first = false;
oss1 <<"l0="<<fixed<<L0;
first = false;
oss1 <<"l0="<<fixed<<L0;
}

}
if(!useTimeOffset)
{
if( !first)
oss1 << ",";

if(!useTimeOffset)
{
if( !first)
oss1 << ",";
//!! first = false;
oss1 <<"t0="<<fixed<<T0;

//!! first = false;
oss1 <<"t0="<<fixed<<T0;
}
TiesArgument = oss1.str();

}
FunctionArgument = oss.str();
TiesArgument = oss1.str();
//--------------------- Set up Fit Algorithm and Execute-------------------
boost::shared_ptr< Algorithm > fit_alg = createChildAlgorithm( "Fit", .2, .9, true );

if( ! fit_alg)
throw invalid_argument( "Cannot find Fit algorithm" );
g_log.debug()<<"Function="<<FunctionArgument<<endl;
g_log.debug()<<"Constraints="<<Constraints<<endl;
g_log.debug()<<"Constraints="<<Constraints<< "\n";
fit_alg->initialize();

int Niterations = getProperty( "NumIterations");
fit_alg->setProperty( "Function",FunctionArgument);
fit_alg->setProperty( "MaxIterations",Niterations );
fit_alg->setProperty( "Function", iFunc);
fit_alg->setProperty( "MaxIterations", Niterations );
if( !TiesArgument.empty())
fit_alg->setProperty( "Ties",TiesArgument);
fit_alg->setProperty( "Ties", TiesArgument);
fit_alg->setProperty( "Constraints", Constraints);
fit_alg->setProperty( "InputWorkspace", ws);
fit_alg->setProperty( "CreateOutput",true);
Expand Down

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