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Mantid
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#include <MultivariateGaussianComptonProfile.h>
Public Member Functions | |
| void | buildS2Cache (std::vector< double > &s2Cache) const |
| Caches values of S2 for all theta and phi in integration range. More... | |
| MultivariateGaussianComptonProfile () | |
| Default constructor required for factory. More... | |
Public Member Functions inherited from Mantid::CurveFitting::Functions::ComptonProfile | |
| ComptonProfile () | |
| Default constructor required for factory. More... | |
| virtual size_t | fillConstraintMatrix (Kernel::DblMatrix &cmatrix, const size_t start, const HistogramData::HistogramE &errors) const =0 |
| Fill the appropriate columns of the given matrix with the values of the mass profile. More... | |
| virtual std::vector< size_t > | intensityParameterIndices () const =0 |
| Returns the indices of the intensity parameters. More... | |
| virtual void | massProfile (double *result, const size_t nData) const =0 |
| Override to calculate the value of the profile for this mass and store in the given array. More... | |
| void | setParameter (const std::string &name, const double &value, bool explicitlySet=true) override |
| Set parameter by name. More... | |
| void | setParameter (size_t i, const double &value, bool explicitlySet=true) override |
| Set i-th parameter. More... | |
| void | function1D (double *out, const double *xValues, const size_t nData) const override |
| Calculates the value of the function for each x value and stores in the given output array. More... | |
| void | setUpForFit () override |
| Ensure the object is ready to be fitted. More... | |
| void | setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > workspace, size_t wsIndex, double startX, double endX) override |
| Cache a copy of the workspace pointer and pull out the parameters. More... | |
| void | buildCaches () |
| Initiate a Y-space value chache rebuild when workspace of mass are changed. More... | |
| void | cacheYSpaceValues (const HistogramData::Points &tseconds, const Algorithms::DetectorParams &detpar, const ResolutionParams &respar) |
| Pre-calculate the Y-space values with specified resolution parameters. More... | |
| virtual void | cacheYSpaceValues (const HistogramData::Points &tseconds, const Algorithms::DetectorParams &detpar) |
| Pre-calculate the Y-space values. More... | |
| void | disableLogging () |
| Turn off logger. More... | |
Public Member Functions inherited from Mantid::API::ParamFunction | |
| IFunction_sptr | getContainingFunction (const ParameterReference &ref) const |
| Get the containing function. More... | |
| IFunction_sptr | getContainingFunction (IFunction_sptr fun) |
| Get the containing function. More... | |
| double | getError (const std::string &name) const override |
| Get the fitting error for a parameter by name. More... | |
| double | getError (size_t i) const override |
| Get the fitting error for a parameter. More... | |
| double | getParameter (const std::string &name) const override |
| Get parameter by name. More... | |
| double | getParameter (size_t i) const override |
| Get i-th parameter. More... | |
| size_t | getParameterIndex (const ParameterReference &ref) const override |
| Return parameter index from a parameter reference. More... | |
| bool | hasParameter (const std::string &name) const override |
| Check if function has a parameter with this name. More... | |
| bool | isExplicitlySet (size_t i) const override |
| Checks if a parameter has been set explicitly. More... | |
| size_t | nParams () const override |
| Total number of parameters. More... | |
| std::string | parameterDescription (size_t i) const override |
| Returns the description of parameter i. More... | |
| size_t | parameterIndex (const std::string &name) const override |
| Returns the index of parameter name. More... | |
| std::string | parameterName (size_t i) const override |
| Returns the name of parameter i. More... | |
| ParamFunction () | |
| Default constructor. More... | |
| void | setError (const std::string &name, double err) override |
| Set the fitting error for a parameter by name. More... | |
| void | setError (size_t i, double err) override |
| Set the fitting error for a parameter. More... | |
| void | setParameter (const std::string &name, const double &value, bool explicitlySet=true) override |
| Set parameter by name. More... | |
| void | setParameter (size_t, const double &value, bool explicitlySet=true) override |
| Set i-th parameter. More... | |
| void | setParameterDescription (const std::string &name, const std::string &description) override |
| Set description of parameter by name. More... | |
| void | setParameterDescription (size_t, const std::string &description) override |
| Set i-th parameter description. More... | |
Public Member Functions inherited from Mantid::API::IFunction | |
| std::string | asString () const |
| Writes itself into a string. More... | |
| bool | cancellationRequestReceived () const |
| Returns true if a progress reporter is set & evalaution has been requested to stop. More... | |
| virtual const std::vector< std::string > | categories () const |
| Function to return all of the categories that contain this algorithm. More... | |
| virtual const std::string | category () const |
| The categories the Fit function belong to. More... | |
| virtual const std::string | categorySeparator () const |
| Function to return the sperator token for the category string. More... | |
| virtual std::shared_ptr< IFunction > | clone () const |
| Virtual copy constructor. More... | |
| virtual int64_t | estimateNoProgressCalls () const |
| Returns an estimate of the number of progress reports a single evaluation of the function will have. More... | |
| virtual void | function (const FunctionDomain &domain, FunctionValues &values) const =0 |
| Evaluates the function for all arguments in the domain. More... | |
| virtual void | functionDeriv (const FunctionDomain &domain, Jacobian &jacobian) |
| Derivatives of function with respect to active parameters. More... | |
| IFunction () | |
| Constructor. More... | |
| IFunction (const IFunction &)=delete | |
| No copying. More... | |
| virtual void | initialize () |
| Iinialize the function. More... | |
| virtual void | iterationFinished () |
| Called at the end of an iteration. More... | |
| virtual void | iterationStarting () |
| Called at the start of each iteration. More... | |
| virtual std::string | name () const =0 |
| Returns the function's name. More... | |
| IFunction & | operator= (const IFunction &)=delete |
| No copying. More... | |
| virtual void | registerFunctionUsage (bool internal) |
| Registers the usage of the algorithm with the UsageService. More... | |
| void | reportProgress (const std::string &msg="") const |
| Reports progress with an optional message. More... | |
| virtual void | setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > workspace, size_t wi, double startX, double endX) |
| Set matrix workspace. More... | |
| void | setProgressReporter (std::shared_ptr< Kernel::ProgressBase > reporter) |
| Attach a progress reporter. More... | |
| virtual void | setWorkspace (std::shared_ptr< const Workspace > ws) |
| Set the workspace. More... | |
| virtual | ~IFunction () |
| Virtual destructor. More... | |
| bool | isFixed (size_t i) const |
| Check if a parameter i is fixed. More... | |
| bool | isFixedByDefault (size_t i) const |
| Check if a parameter i is fixed by default (not by user). More... | |
| void | fix (size_t i, bool isDefault=false) |
| Removes a parameter i from the list of active. More... | |
| void | unfix (size_t i) |
| Restores a declared parameter i to the active status. More... | |
| void | fixParameter (const std::string &name, bool isDefault=false) |
| Fix a parameter. More... | |
| void | unfixParameter (const std::string &name) |
| Free a parameter. More... | |
| void | fixAll (bool isDefault=false) |
| Fix all parameters. More... | |
| void | unfixAll () |
| Free all parameters. More... | |
| void | unfixAllDefault () |
| Free all parameters fixed by default. More... | |
| void | fixAllActive (bool isDefault=false) |
| Fix all active parameters. More... | |
| std::vector< std::string > | getParameterNames () const |
| Return a vector with all parameter names. More... | |
| virtual double | activeParameter (size_t i) const |
| Value of i-th active parameter. More... | |
| virtual void | setActiveParameter (size_t i, double value) |
| Set new value of i-th active parameter. More... | |
| virtual std::string | nameOfActive (size_t i) const |
| Returns the name of active parameter i. More... | |
| virtual std::string | descriptionOfActive (size_t i) const |
| Returns the name of active parameter i. More... | |
| bool | isActive (size_t i) const |
| Check if an active parameter i is actually active. More... | |
| virtual void | tie (const std::string &parName, const std::string &expr, bool isDefault=false) |
| Tie a parameter to other parameters (or a constant) More... | |
| virtual void | addTies (const std::string &ties, bool isDefault=false) |
| Add several ties. More... | |
| virtual void | applyTies () |
| Apply the ties. More... | |
| virtual void | removeTie (const std::string &parName) |
| Removes the tie off a parameter. More... | |
| virtual void | clearTies () |
| Remove all ties. More... | |
| virtual bool | removeTie (size_t i) |
| Removes i-th parameter's tie. More... | |
| virtual ParameterTie * | getTie (size_t i) const |
| Get the tie of i-th parameter. More... | |
| virtual bool | ignoreTie (const ParameterTie &) const |
| Ignore a tie. More... | |
| void | sortTies () |
| Put all ties in order in which they will be applied correctly. More... | |
| std::string | writeTies () const |
| Write a parameter tie to a string. More... | |
| virtual void | addConstraints (const std::string &str, bool isDefault=false) |
| Add a list of conatraints from a string. More... | |
| virtual void | addConstraint (std::unique_ptr< IConstraint > ic) |
| Add a constraint to function. More... | |
| virtual IConstraint * | getConstraint (size_t i) const |
| Get constraint of i-th parameter. More... | |
| virtual void | removeConstraint (const std::string &parName) |
| Remove a constraint. More... | |
| virtual void | setConstraintPenaltyFactor (const std::string &parName, const double &c) |
| Set a constraint penalty. More... | |
| std::string | writeConstraints () const |
| Write a parameter constraint to a string. More... | |
| virtual void | clearConstraints () |
| Remove all constraints. More... | |
| virtual size_t | nAttributes () const |
| Returns the number of attributes associated with the function. More... | |
| virtual std::vector< std::string > | getAttributeNames () const |
| Returns a list of attribute names. More... | |
| virtual std::string | attributeName (size_t index) const |
| Get name of ith attribute. More... | |
| virtual Attribute | getAttribute (const std::string &name) const |
| Return a value of attribute attName. More... | |
| virtual bool | hasAttribute (const std::string &name) const |
| Check if attribute attName exists. More... | |
| template<typename T > | |
| void | setAttributeValue (const std::string &attName, const T &value) |
| Set an attribute value. More... | |
| void | setAttributeValue (const std::string &attName, const char *value) |
| Overload for const char* values. More... | |
| void | setAttributeValue (const std::string &attName, const std::string &value) |
| Set string attribute by value. More... | |
| virtual std::shared_ptr< IFunction > | getFunction (size_t i) const |
| Returns the pointer to i-th child function. More... | |
| virtual std::size_t | nFunctions () const |
| Number of child functions. More... | |
| virtual size_t | getValuesSize (const FunctionDomain &domain) const |
| Get number of values for a given domain. More... | |
| virtual size_t | getNumberDomains () const |
| Get number of domains required by this function. More... | |
| virtual std::vector< std::shared_ptr< IFunction > > | createEquivalentFunctions () const |
| Split this function (if needed) into a list of independent functions. More... | |
| void | calNumericalDeriv (const FunctionDomain &domain, Jacobian &jacobian) |
| Calculate numerical derivatives. More... | |
| double | calculateStepSize (const double parameterValue) const |
| Calculate step size for the given parameter value. More... | |
| void | setCovarianceMatrix (const std::shared_ptr< Kernel::Matrix< double > > &covar) |
| Set the covariance matrix. More... | |
| std::shared_ptr< const Kernel::Matrix< double > > | getCovarianceMatrix () const |
| Get the covariance matrix. More... | |
| void | setReducedChiSquared (double chi2) |
| Set the reduced chi^2. More... | |
| double | getReducedChiSquared () const |
| Get the reduced chi^2. More... | |
| void | setParallel (bool on) |
| Set the parallel hint. More... | |
| bool | isParallel () const |
| Get the parallel hint. More... | |
| void | setHandler (std::unique_ptr< FunctionHandler > handler) |
| Set a function handler. More... | |
| FunctionHandler * | getHandler () const |
| Return the handler. More... | |
| virtual void | setStepSizeMethod (const StepSizeMethod method) |
| Sets the StepSizeMethod to use when calculation the step size. More... | |
Public Member Functions inherited from Mantid::API::IFunction1D | |
| virtual void | derivative (const FunctionDomain &domain, FunctionValues &values, const size_t order=1) const |
| virtual void | derivative1D (double *out, const double *xValues, const size_t nData, const size_t order) const |
| Function to calculate the derivatives of the data set. More... | |
| void | function (const FunctionDomain &domain, FunctionValues &values) const override |
| Evaluates the function for all arguments in the domain. More... | |
| virtual void | function1D (double *out, const double *xValues, const size_t nData) const =0 |
| Function you want to fit to. More... | |
| void | functionDeriv (const FunctionDomain &domain, Jacobian &jacobian) override |
| Derivatives of function with respect to active parameters. More... | |
| virtual void | functionDeriv1D (Jacobian *jacobian, const double *xValues, const size_t nData) |
| Derivatives of function with respect to active parameters. More... | |
Static Public Attributes | |
| static const char * | AMP_PARAM = "Intensity" |
| static const char * | SIGMA_X_PARAM = "SigmaX" |
| static const char * | SIGMA_Y_PARAM = "SigmaY" |
| static const char * | SIGMA_Z_PARAM = "SigmaZ" |
| static const char * | STEPS_ATTR = "IntegrationSteps" |
Private Member Functions | |
| double | calculateFSE (std::vector< double > s2Cache, double y) const |
| Calculates the A3 FSE correction. More... | |
| double | calculateIntegrandFSE (double s2, double y) const |
| Calculates the integrand of the A3 FSE correction. More... | |
| double | calculateIntegrandJ (double s2, double y) const |
| Calculates the integrand of the mass profile. More... | |
| double | calculateJ (std::vector< double > s2Cache, double y) const |
| Calculates the mass profile. More... | |
| void | declareAttributes () override |
| Declare parameters that will never participate in the fit. More... | |
| void | declareParameters () override |
| Declare the function parameters. More... | |
| size_t | fillConstraintMatrix (Kernel::DblMatrix &cmatrix, const size_t start, const HistogramData::HistogramE &errors) const override |
| Fill in the columns of the matrix for this mass. More... | |
| std::vector< size_t > | intensityParameterIndices () const override |
| Returns the indices of the intensity parameters. More... | |
| double | intervalCoeff (int i, int j) const |
| Obtains a cell of the coefficient grid for Simpson's integration in 2D. More... | |
| void | massProfile (double *result, const size_t nData) const override |
| Compute the function. More... | |
| void | massProfile (double *result, const size_t nData, const double amplitude) const |
| Helper to allow the amplitude to be specified separately. More... | |
| std::string | name () const override |
| A string identifier for this function. More... | |
| void | setAttribute (const std::string &name, const Attribute &value) override |
| Set an attribute value (and possibly cache its value) More... | |
Private Attributes | |
| int | m_integrationSteps |
| Number of steps to perform during integration. More... | |
| double | m_phiStep |
| Delta phi in integration. More... | |
| double | m_thetaStep |
| Delta theta in integration. More... | |
Additional Inherited Members | |
Public Types inherited from Mantid::API::IFunction | |
| enum | ParameterStatus { Active , Fixed , FixedByDefault , Tied } |
| Describe parameter status in relation to fitting: Active: Fit varies such parameter directly. More... | |
| enum class | StepSizeMethod { DEFAULT , SQRT_EPSILON } |
| Describes the method in which the step size will be calculated: DEFAULT: Uses the traditional Mantid method of calculating the step size. More... | |
Protected Types inherited from Mantid::API::IFunction1D | |
| template<typename FunctionType > | |
| using | Function1DMethod = void(FunctionType::*)(double *, const double *, const size_t) const |
Protected Member Functions inherited from Mantid::CurveFitting::Functions::ComptonProfile | |
| void | declareParameters () override |
| Declare parameters that will never participate in the fit. More... | |
| const std::vector< double > & | e0 () const |
| Access e0 values. More... | |
| double | mass () const |
| Access the mass. More... | |
| const std::vector< double > & | modQ () const |
| Access Q values cache. More... | |
| void | voigtApprox (std::vector< double > &voigt, const std::vector< double > &yspace, const double lorentzPos, const double lorentzAmp, const double lorentzWidth, const double gaussWidth) const |
| Compute Voigt function. More... | |
| void | voigtApproxDiff (std::vector< double > &voigtDiff, const std::vector< double > &yspace, const double lorentzPos, const double lorentzAmp, const double lorentzWidth, const double gaussWidth) const |
| Compute Voigt function interpolated around the given values. More... | |
| const std::vector< double > & | ySpace () const |
| Access y-values cache. More... | |
Protected Member Functions inherited from Mantid::API::ParamFunction | |
| void | clearAllParameters () |
| Nonvirtual member which removes all declared parameters. More... | |
| void | declareParameter (const std::string &name, double initValue=0, const std::string &description="") override |
| Declare a new parameter. More... | |
| virtual double * | getParameterAddress (size_t i) |
| Get the address of the parameter. For use in UserFunction with mu::Parser. More... | |
| ParameterStatus | getParameterStatus (size_t i) const override |
| Get status of parameter. More... | |
| void | setParameterStatus (size_t i, ParameterStatus status) override |
| Change status of parameter. More... | |
Protected Member Functions inherited from Mantid::API::IFunction | |
| virtual void | init () |
| Function initialization. Declare function parameters in this method. More... | |
| double | convertValue (double value, Kernel::Unit_sptr &outUnit, const std::shared_ptr< const MatrixWorkspace > &ws, size_t wsIndex) const |
| Convert a value from one unit (inUnit) to unit defined in workspace (ws) More... | |
| void | convertValue (std::vector< double > &values, Kernel::Unit_sptr &outUnit, const std::shared_ptr< const MatrixWorkspace > &ws, size_t wsIndex) const |
| Convert values from unit defined in workspace (ws) to outUnit. More... | |
| void | declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue) |
| Declare a single attribute. More... | |
| void | declareAttribute (const std::string &name, const API::IFunction::Attribute &defaultValue, const Kernel::IValidator &validator) |
| Declare a single attribute with validator. More... | |
| void | checkAttributeName (const std::string &name) |
| Check Attribute to declare does not already exist. More... | |
| void | storeAttributeValue (const std::string &name, const API::IFunction::Attribute &value) |
| Store an attribute's value. More... | |
| void | storeReadOnlyAttribute (const std::string &name, const API::IFunction::Attribute &value) const |
| A read-only ("mutable") attribute can be stored in a const method. More... | |
| virtual void | addTie (std::unique_ptr< ParameterTie > tie) |
| Add a new tie. Derived classes must provide storage for ties. More... | |
| bool | hasOrderedTies () const |
| void | applyOrderedTies () |
| virtual std::string | writeToString (const std::string &parentLocalAttributesStr="") const |
| Writes itself into a string. More... | |
Protected Member Functions inherited from Mantid::API::IFunction1D | |
| template<typename EvaluationMethod > | |
| void | calcNumericalDerivative1D (Jacobian *jacobian, EvaluationMethod func1D, const double *xValues, const size_t nData) |
| Calculate a numerical derivative for the 1D data. More... | |
| virtual void | histogram1D (double *out, double left, const double *right, const size_t nBins) const |
| Calculate histogram data for the given bin boundaries. More... | |
| virtual void | histogramDerivative1D (Jacobian *jacobian, double left, const double *right, const size_t nBins) const |
| Derivatives of the histogram1D with respect to active parameters. More... | |
Protected Attributes inherited from Mantid::CurveFitting::Functions::ComptonProfile | |
| double | m_endX |
| Kernel::Logger | m_log |
| Logger. More... | |
| std::shared_ptr< VesuvioResolution > | m_resolutionFunction |
| Vesuvio resolution function. More... | |
| double | m_startX |
| std::shared_ptr< API::IPeakFunction > | m_voigt |
| Voigt function. More... | |
| std::shared_ptr< const API::MatrixWorkspace > | m_workspace |
| Current workspace. More... | |
| size_t | m_wsIndex |
| Current workspace index, required to access instrument parameters. More... | |
| std::vector< double > | m_yspace |
| std::vector< double > | m_modQ |
| Q-values. More... | |
| std::vector< double > | m_e0 |
| Incident energies. More... | |
| double | m_mass |
| Atomic mass. More... | |
Protected Attributes inherited from Mantid::API::IFunction | |
| bool | m_isParallel |
| Flag to hint that the function is being used in parallel computations. More... | |
| std::unique_ptr< FunctionHandler > | m_handler |
| Pointer to a function handler. More... | |
| std::shared_ptr< Kernel::ProgressBase > | m_progReporter |
| Pointer to the progress handler. More... | |
Static Protected Attributes inherited from Mantid::API::IFunction1D | |
| static Kernel::Logger | g_log |
| Logger instance. More... | |
Definition at line 18 of file MultivariateGaussianComptonProfile.h.
| Mantid::CurveFitting::Functions::MultivariateGaussianComptonProfile::MultivariateGaussianComptonProfile | ( | ) |
Default constructor required for factory.
Definition at line 26 of file MultivariateGaussianComptonProfile.cpp.
| void Mantid::CurveFitting::Functions::MultivariateGaussianComptonProfile::buildS2Cache | ( | std::vector< double > & | s2Cache | ) | const |
Caches values of S2 for all theta and phi in integration range.
| s2Cache | Reference to vector to cache S2 values in |
Definition at line 201 of file MultivariateGaussianComptonProfile.cpp.
References Mantid::API::ParamFunction::getParameter(), m_integrationSteps, m_phiStep, m_thetaStep, SIGMA_X_PARAM, SIGMA_Y_PARAM, SIGMA_Z_PARAM, Mantid::Geometry::x, Mantid::Geometry::y, and Mantid::Geometry::z.
Referenced by massProfile().
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private |
Calculates the A3 FSE correction.
| s2Cache | Cache of S2 values |
| y | Y value |
Definition at line 156 of file MultivariateGaussianComptonProfile.cpp.
References calculateIntegrandFSE(), intervalCoeff(), m_integrationSteps, m_phiStep, m_thetaStep, and Mantid::Geometry::y.
Referenced by massProfile().
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inlineprivate |
Calculates the integrand of the A3 FSE correction.
| s2 | S2 value |
| y | Y value |
Definition at line 70 of file MultivariateGaussianComptonProfile.h.
References Mantid::Geometry::y.
Referenced by calculateFSE().
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inlineprivate |
Calculates the integrand of the mass profile.
| s2 | S2 value |
| y | Y value |
Definition at line 62 of file MultivariateGaussianComptonProfile.h.
References Mantid::Geometry::y.
Referenced by calculateJ().
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private |
Calculates the mass profile.
| s2Cache | Cache of S2 values |
| y | Y value |
Definition at line 135 of file MultivariateGaussianComptonProfile.cpp.
References calculateIntegrandJ(), intervalCoeff(), m_integrationSteps, m_phiStep, m_thetaStep, and Mantid::Geometry::y.
Referenced by massProfile().
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overrideprivatevirtual |
Declare parameters that will never participate in the fit.
Reimplemented from Mantid::API::IFunction.
Definition at line 42 of file MultivariateGaussianComptonProfile.cpp.
References Mantid::API::IFunction::declareAttribute(), Mantid::API::IFunction::declareAttributes(), m_integrationSteps, and STEPS_ATTR.
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overrideprivatevirtual |
Declare the function parameters.
Reimplemented from Mantid::CurveFitting::Functions::ComptonProfile.
Definition at line 34 of file MultivariateGaussianComptonProfile.cpp.
References AMP_PARAM, Mantid::API::ParamFunction::declareParameter(), Mantid::CurveFitting::Functions::ComptonProfile::declareParameters(), SIGMA_X_PARAM, SIGMA_Y_PARAM, and SIGMA_Z_PARAM.
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overrideprivatevirtual |
Fill in the columns of the matrix for this mass.
Fills in a column of the matrix with this mass profile, starting at the given index.
| cmatrix | InOut matrix whose column should be set to the mass profile for each active hermite polynomial |
| start | Index of the column to start on |
| errors | The data errors |
Implements Mantid::CurveFitting::Functions::ComptonProfile.
Definition at line 81 of file MultivariateGaussianComptonProfile.cpp.
References massProfile(), Mantid::Kernel::Matrix< T >::setColumn(), and Mantid::CurveFitting::Functions::ComptonProfile::ySpace().
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overrideprivatevirtual |
Returns the indices of the intensity parameters.
Implements Mantid::CurveFitting::Functions::ComptonProfile.
Definition at line 68 of file MultivariateGaussianComptonProfile.cpp.
References AMP_PARAM, and Mantid::API::ParamFunction::parameterIndex().
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private |
Obtains a cell of the coefficient grid for Simpson's integration in 2D.
| i | X index |
| j | Y index |
[ 1 4 2 4 1 ] [ 4 16 8 16 4 ] [ 2 8 4 8 2 ] [ 4 16 8 16 4 ] [ 1 4 2 4 1 ]
Definition at line 184 of file MultivariateGaussianComptonProfile.cpp.
References m_integrationSteps.
Referenced by calculateFSE(), and calculateJ().
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overrideprivatevirtual |
Compute the function.
| result | A pre-sized output array that should be filled with the results |
| nData | The size of the array |
Implements Mantid::CurveFitting::Functions::ComptonProfile.
Definition at line 95 of file MultivariateGaussianComptonProfile.cpp.
References AMP_PARAM, Mantid::API::ParamFunction::getParameter(), and massProfile().
Referenced by fillConstraintMatrix(), and massProfile().
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private |
Helper to allow the amplitude to be specified separately.
Definition at line 100 of file MultivariateGaussianComptonProfile.cpp.
References buildS2Cache(), calculateFSE(), calculateJ(), Mantid::API::ParamFunction::getParameter(), Mantid::CurveFitting::Functions::ComptonProfile::modQ(), SIGMA_X_PARAM, SIGMA_Y_PARAM, SIGMA_Z_PARAM, Mantid::Geometry::y, and Mantid::CurveFitting::Functions::ComptonProfile::ySpace().
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overrideprivatevirtual |
A string identifier for this function.
Implements Mantid::API::IFunction.
Definition at line 32 of file MultivariateGaussianComptonProfile.cpp.
Referenced by setAttribute().
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overrideprivatevirtual |
Set an attribute value (and possibly cache its value)
| name | The name of the attribute |
| value | The attribute's value |
Reimplemented from Mantid::API::IFunction.
Definition at line 51 of file MultivariateGaussianComptonProfile.cpp.
References m_integrationSteps, m_phiStep, m_thetaStep, name(), Mantid::API::IFunction::setAttribute(), STEPS_ATTR, and value.
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Definition at line 20 of file MultivariateGaussianComptonProfile.h.
Referenced by declareParameters(), intensityParameterIndices(), and massProfile().
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Number of steps to perform during integration.
Definition at line 76 of file MultivariateGaussianComptonProfile.h.
Referenced by buildS2Cache(), calculateFSE(), calculateJ(), declareAttributes(), intervalCoeff(), and setAttribute().
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Delta phi in integration.
Definition at line 78 of file MultivariateGaussianComptonProfile.h.
Referenced by buildS2Cache(), calculateFSE(), calculateJ(), and setAttribute().
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Delta theta in integration.
Definition at line 77 of file MultivariateGaussianComptonProfile.h.
Referenced by buildS2Cache(), calculateFSE(), calculateJ(), and setAttribute().
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Definition at line 21 of file MultivariateGaussianComptonProfile.h.
Referenced by buildS2Cache(), declareParameters(), and massProfile().
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Definition at line 22 of file MultivariateGaussianComptonProfile.h.
Referenced by buildS2Cache(), declareParameters(), and massProfile().
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Definition at line 23 of file MultivariateGaussianComptonProfile.h.
Referenced by buildS2Cache(), declareParameters(), and massProfile().
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Definition at line 24 of file MultivariateGaussianComptonProfile.h.
Referenced by declareAttributes(), and setAttribute().