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Refs #5772. Initial update of code for new features
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@RuthFromDuluth
RuthFromDuluth committed Aug 20, 2012
1 parent 821cf89 commit 6f5e528
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Showing 2 changed files with 937 additions and 489 deletions.
163 changes: 146 additions & 17 deletions Code/Mantid/Framework/Crystal/inc/MantidCrystal/IntegratePeakTimeSlices.h
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Original file line number Diff line number Diff line change
Expand Up @@ -57,6 +57,134 @@ namespace Crystal
File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/

class DataModeHandler
{
public:

DataModeHandler()
{
this->baseRCRadius=-1;
this->lastRCRadius=-1;
this->lastRow=-1;
this->lastCol=-1;
EdgeX=EdgeY=-1;
calcNewRCRadius = -1;
time = -1;
CalcVariance = true;

currentRadius =-1;
currentPosition= Kernel::V3D();
HalfWidthAtHalfHeightRadius=-1;
back_calc=Intensity_calc=row_calc=col_calc=Vx_calc= Vy_calc= Vxy_calc=-1;
}

DataModeHandler( const DataModeHandler &handler);
DataModeHandler(double baseRCRadius, double lastRCRadius,
double lastRow, double lastCol, double CellWidth, double CellHeight,
bool CalcVariance)
{
this->baseRCRadius=baseRCRadius;
this->lastRCRadius=lastRCRadius;
this->lastRow=lastRow;
this->lastCol=lastCol;
this->CellWidth = CellWidth;
this->CellHeight = CellHeight;
this->CalcVariance = CalcVariance;
this->case4=false;
EdgeX=EdgeY=-1;
calcNewRCRadius = -1;
time = -1;

this->currentRadius =-1;
this->currentPosition= Kernel::V3D();
HalfWidthAtHalfHeightRadius=-1;
back_calc=Intensity_calc=row_calc=col_calc=Vx_calc= Vy_calc= Vxy_calc=-1;
}
void setTime( double time )
{
this->time=time;
}
void setStatBase(std::vector<double> const &StatBase );
//Will calc
void setHeighHalfWidthInfo( Mantid::MantidVecPtr &xvals,
Mantid::MantidVecPtr &yvals,Mantid::MantidVecPtr &counts,
double ROW,double COL);

void setCurrentRadius( double radius)
{
currentRadius = radius;
}
void setCurrentCenter( Kernel::V3D newCenter)
{
currentPosition = newCenter;
}

double getCurrentRadius( )
{
return currentRadius ;
}
Kernel::V3D getCurrentCenter( )
{
return currentPosition;
}
void updateEdgeXsize( double newsize)
{ if(EdgeX < 0)
EdgeX = newsize;
else if( newsize < EdgeX)
EdgeX = newsize;
}
void updateEdgeYsize( double newsize)
{ if(EdgeY < 0)
EdgeY = newsize;
else if( newsize < EdgeY)
EdgeY = newsize;
}
void CalcVariancesFromData( double background, double row,
double col, double &Varx, double &Vary, double &Varxy,
std::vector<double>&ParameterValues);
bool IsEnoughData(double *ParameterValues,Kernel::Logger& g_log);

double getNewRCRadius();
double getInitBackground(){ return back_calc;}
double getInitRow(){ return row_calc;}
double getInitCol(){ return col_calc;}
double getInitIntensity(){ return Intensity_calc;}
double getInitVarx(){ return Vx_calc;}
double getInitVary(){ return Vy_calc;}
double getInitVarxy(){ return Vxy_calc;}
std::string CalcConstraints(std::vector< std::pair<double,double> > & Bounds,
bool CalcVariances );
std::string getTies(){ return "";}
bool CalcVariances( );

double StatBaseVals( int index){return StatBase[index];}

double CalcISAWIntensity( const double* params) const;

double CalcISAWIntensityVariance( const double* params, const double* errs, double chiSqOvDOF) const;

double CalcSampleIntensityMultiplier( const double* params) const;


double baseRCRadius;
double lastRCRadius;
double HalfWidthAtHalfHeightRadius;
double calcNewRCRadius;
double lastRow;
double lastCol;
double time;
double CellWidth;
double CellHeight;
double currentRadius;
Kernel::V3D currentPosition;
std::vector<double> StatBase;
double EdgeX,EdgeY;
bool CalcVariance;
bool case4;//if true result of successful merge of dir =1 chan=0 and chan=1
double back_calc,Intensity_calc,row_calc,col_calc,Vx_calc, Vy_calc, Vxy_calc;
};

class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm
{
public:
Expand Down Expand Up @@ -101,7 +229,7 @@ class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm

std::string ParameterNames[7];

double AttributeValues[20] ;
boost::shared_ptr<DataModeHandler> AttributeValues ;
double ParameterValues[7] ;

Mantid::detid2index_map * wi_to_detid_map;
Expand All @@ -116,11 +244,14 @@ class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm
double COL; ///< for Describing the Column(or 0) describing the center of the Peak
double CellWidth; ///< for Describing the Plane at the Peak
double CellHeight; ///< for Describing the Plane at the Peak
int NROWS;
int NCOLS;

void SetUpData( API::MatrixWorkspace_sptr & Data,
API::MatrixWorkspace_sptr const & inpWkSpace,
boost::shared_ptr< Geometry::IComponent> comp,
const int chan,
const int chanMin,
const int chanMax,
double CentX,
double CentY,
Kernel::V3D &CentNghbr,
Expand Down Expand Up @@ -151,13 +282,16 @@ class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm

void SetUpData1( API::MatrixWorkspace_sptr &Data,
API::MatrixWorkspace_sptr const &inpWkSpace,
const int chan,
const int chanMin,
const int chanMax,
double Radius,
Kernel::V3D CentPos , ///< Center on Plane,
std::string &spec_idList

) ;

void Fit(API::MatrixWorkspace_sptr &Data,double &chisq, bool &done,
std::vector<std::string>&names, std::vector<double>&params,
std::vector<double>&errs,double lastRow,double lastCol,double neighborRadius);

std::string CalculateFunctionProperty_Fit( ) ;

Expand All @@ -166,10 +300,10 @@ class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm
std::vector<std::string > const &names,
double chisq
) ;

void UpdateOutputWS( DataObjects::TableWorkspace_sptr &TabWS,
//returns last row added
int UpdateOutputWS( DataObjects::TableWorkspace_sptr &TabWS,
const int dir,
const int chan,
const double chan,
std::vector<double > const &params,
std::vector<double > const &errs,
std::vector<std::string> const &names,
Expand Down Expand Up @@ -200,12 +334,6 @@ class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm
std::vector<std::string> const &nameList);


void getInitParamValues( std::vector<double> const &StatBase,
const double TotBoundaryIntensities,
const int nBoundaryCells);

void CalcVariancesFromData( double background, double meanx, double meany,
double &Varxx, double &Varxy, double &Varyy);

double CalculateIsawIntegrateError(const double background,
const double backError,
Expand All @@ -214,16 +342,17 @@ class DLLExport IntegratePeakTimeSlices: public Mantid::API::Algorithm
const int ncells);

void FindPlane( Kernel::V3D & center, Kernel:: V3D & xvec, Kernel::V3D& yvec,
double &ROW, double &COL, double &pixWidthx,
double &ROW, double &COL, int &NROWS,
int & NCOLS, double &pixWidthx,
double&pixHeighty, DataObjects::Peak const &peak) const;

int find( Mantid::MantidVec const & X,
const double time);

//returns true if Neighborhood list is changed
bool updateNeighbors( boost::shared_ptr< Geometry::IComponent> &comp,
Kernel:: V3D CentPos, Kernel::V3D oldCenter,double NewRadius, double &neighborRadius);

bool IsEnoughData( ) ;

std::string CalcConstraints( std::vector< std::pair<double,double> > & Bounds );


bool debug;
Expand Down

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