Mantid
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A function that controls creation of the source of CrystalFieldFunction. More...
#include <CrystalFieldControl.h>
Public Member Functions | |
void | buildControls () |
Build control functions for individual spectra. More... | |
API::IFunction_sptr | buildMultiSite () |
Build the source function in a multi site case. More... | |
API::IFunction_sptr | buildMultiSiteMultiSpectrum () |
Build the source function in a multi site - multi spectrum case. More... | |
API::IFunction_sptr | buildMultiSiteSingleSpectrum () |
Build the source function in a multi site - single spectrum case. More... | |
API::IFunction_sptr | buildSingleSite () |
Build the source function in a single site case. More... | |
API::IFunction_sptr | buildSingleSiteMultiSpectrum () |
Build the source function in a single site - multi spectrum case. More... | |
API::IFunction_sptr | buildSingleSiteSingleSpectrum () |
Build the source function in a single site - single spectrum case. More... | |
API::IFunction_sptr | buildSource () |
Build the source function. More... | |
CrystalFieldControl () | |
const std::vector< double > & | FWHMs () const |
bool | hasPeaks () const |
Any peaks defined? More... | |
bool | hasPhysProperties () const |
Check if there are any phys. properties. More... | |
bool | isMultiSite () const |
Are there multiple ions? More... | |
bool | isMultiSpectrum () const |
Is it a multi-spectrum case? More... | |
const std::vector< std::string > & | physProps () const |
void | setAttribute (const std::string &name, const Attribute &) override |
Set a value to attribute. More... | |
const std::vector< double > & | temperatures () const |
Public Member Functions inherited from Mantid::API::CompositeFunction | |
double | activeParameter (size_t i) const override |
Value of i-th active parameter. More... | |
virtual size_t | addFunction (IFunction_sptr f) |
Add a function at the back of the internal function list. More... | |
void | applyTies () override |
Apply the ties. More... | |
std::size_t | attributeFunctionIndex (std::size_t i) const |
Get the index of the function to which parameter i belongs. More... | |
std::string | attributeName (size_t i) const override |
Returns the name of attribute i. More... | |
void | checkFunction () |
Check the function. More... | |
void | clear () |
Remove all member functions. More... | |
void | clearTies () override |
Remove all ties. More... | |
CompositeFunction () | |
Default constructor. More... | |
std::vector< std::shared_ptr< IFunction > > | createEquivalentFunctions () const override |
Split this function (if needed) into a list of independent functions. More... | |
std::string | descriptionOfActive (size_t i) const override |
Returns the name of active parameter i. More... | |
void | function (const FunctionDomain &domain, FunctionValues &values) const override |
Function you want to fit to. More... | |
void | functionDeriv (const FunctionDomain &domain, Jacobian &jacobian) override |
Derivatives of function with respect to active parameters. More... | |
std::size_t | functionIndex (const std::string &functionName) const |
Get the first function index with a matching function name. More... | |
std::size_t | functionIndex (std::size_t i) const |
Get the function index. More... | |
Attribute | getAttribute (const std::string &name) const override |
Return a value of attribute attName. More... | |
IConstraint * | getConstraint (size_t i) const override |
Get constraint of i-th parameter. More... | |
IFunction_sptr | getContainingFunction (const ParameterReference &ref) const |
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 | getError (size_t i, size_t j) const |
Get the fitting error for i-th function's j-th parameter. More... | |
IFunction_sptr | getFunction (std::size_t i) const override |
Returns the pointer to i-th function. More... | |
virtual Attribute | getLocalAttribute (size_t i, const std::string &attName) const |
Return a value of attribute attName. More... | |
virtual std::vector< std::string > | getLocalAttributeNames () const |
Returns a list of attribute names. More... | |
size_t | getNumberDomains () const override |
Get number of domains required by this function. 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... | |
double | getParameter (size_t i, size_t j) const |
Get parameter from i-th function, j-th local parameter index. More... | |
size_t | getParameterIndex (const ParameterReference &ref) const override |
Return parameter index from a parameter reference. More... | |
ParameterStatus | getParameterStatus (size_t i) const override |
Get status of parameter. More... | |
ParameterTie * | getTie (size_t i) const override |
Get the tie of i-th parameter. More... | |
bool | hasAttribute (const std::string &name) const override |
Check if a function has an attribute with this name. More... | |
bool | hasFunction (const std::string &functionName) const |
Returns true if the composite has at least one of this function. More... | |
virtual bool | hasLocalAttribute (const std::string &) const |
Check if attribute attName exists. 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... | |
std::string | name () const override |
Returns the function's name. More... | |
std::string | nameOfActive (size_t i) const override |
Returns the name of active parameter i. More... | |
size_t | nAttributes () const override |
Returns the number of attributes associated with the function. More... | |
std::size_t | nFunctions () const override |
Number of functions. More... | |
size_t | nGlobalAttributes () const noexcept |
virtual size_t | nLocalAttributes () const |
Returns the number of attributes associated with the function. 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... | |
size_t | parameterLocalIndex (size_t i, bool recursive=false) const |
Returns the index of parameter i as it declared in its function. More... | |
std::string | parameterLocalName (size_t i, bool recursive=false) const |
Returns the name of parameter i as it declared in its function. More... | |
std::string | parameterName (size_t i) const override |
Returns the name of parameter i. More... | |
std::string | parameterName (size_t i, size_t j) const |
Returns the name of i-th function's j-th parameter. More... | |
void | registerFunctionUsage (bool internal) override |
Registers the usage of the function with the UsageService. More... | |
void | removeConstraint (const std::string &parName) override |
Remove a constraint. More... | |
void | removeFunction (size_t i) |
Remove a function. More... | |
virtual void | removeTie (const std::string &parName) |
Removes the tie off a parameter. More... | |
virtual bool | removeTie (size_t i) |
Removes i-th parameter's tie. More... | |
bool | removeTie (size_t i) override |
Removes i-th parameter's tie. More... | |
void | replaceFunction (size_t functionIndex, const IFunction_sptr &f) |
Replace a function. More... | |
void | replaceFunctionPtr (const IFunction_sptr &f_old, const IFunction_sptr &f_new) |
Replace a function. More... | |
void | setActiveParameter (size_t i, double value) override |
Set new value of i-th active parameter. More... | |
void | setAttribute (const std::string &name, const API::IFunction::Attribute &value) override |
Set a value of a named attribute. 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... | |
virtual void | setLocalAttribute (size_t i, const std::string &attName, const Attribute &) |
Set a value to attribute attName. More... | |
void | setLocalAttributeValue (size_t i, const std::string &attName, const char *value) |
template<typename T > | |
void | setLocalAttributeValue (size_t i, const std::string &attName, const T &value) |
void | setMatrixWorkspace (std::shared_ptr< const API::MatrixWorkspace > workspace, size_t wi, double startX, double endX) override |
Set matrix workspace. 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... | |
void | setParameterStatus (size_t i, ParameterStatus status) override |
Change status of parameter. More... | |
void | setStepSizeMethod (const StepSizeMethod stepSizeMethod) override |
Sets the function to use when calculating the step size. More... | |
void | setUpForFit () override |
Prepare function for a fit. More... | |
void | setWorkspace (std::shared_ptr< const Workspace > ws) override |
Sets the workspace for each member function. More... | |
void | updateActive (const double *in) |
Update parameters after a fitting iteration. 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... | |
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 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 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 std::vector< std::string > | getAttributeNames () const |
Returns a list of attribute names. 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 size_t | getValuesSize (const FunctionDomain &domain) const |
Get number of values for a given domain. 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... | |
Private Member Functions | |
void | buildPhysPropControls () |
Build control functions for phys properties. More... | |
void | cacheAttributes () |
Cache the attributes. More... | |
void | checkConsistent () |
Check that everything is consistent. More... | |
void | parseStringListAttribute (const std::string &attName, const std::string &value, std::vector< std::string > &cache) |
Parse a comma-separated list attribute. More... | |
Private Attributes | |
std::vector< std::string > | m_ions |
std::vector< std::string > | m_symmetries |
The symmetries. More... | |
std::vector< double > | m_temperatures |
The temperatures. More... | |
std::vector< double > | m_FWHMs |
Cache the default peak FWHMs. More... | |
std::vector< std::vector< double > > | m_fwhmX |
Caches of the width functions. More... | |
std::vector< std::vector< double > > | m_fwhmY |
std::vector< std::string > | m_physProps |
The physical properties. 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... | |
Static Public Member Functions inherited from Mantid::API::CompositeFunction | |
static std::pair< std::string, size_t > | parseName (const std::string &varName) |
Extract function index and parameter name from a variable name. More... | |
Protected Member Functions inherited from Mantid::API::CompositeFunction | |
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 a validator. More... | |
void | declareParameter (const std::string &name, double initValue=0, const std::string &description="") override |
Declare a new parameter. More... | |
void | init () override |
Function initialization. Declare function parameters in this method. More... | |
size_t | paramOffset (size_t i) const |
std::string | writeToString (const std::string &parentLocalAttributesStr="") const override |
Writes itself into a string. More... | |
Protected Member Functions inherited from Mantid::API::IFunction | |
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... | |
virtual void | declareAttributes () |
Override to declare function attributes. More... | |
virtual void | declareParameters () |
Override to declare function parameters. 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 () |
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... | |
A function that controls creation of the source of CrystalFieldFunction.
Definition at line 20 of file CrystalFieldControl.h.
Mantid::CurveFitting::Functions::CrystalFieldControl::CrystalFieldControl | ( | ) |
Definition at line 17 of file CrystalFieldControl.cpp.
References Mantid::API::CompositeFunction::declareAttribute().
void Mantid::CurveFitting::Functions::CrystalFieldControl::buildControls | ( | ) |
Build control functions for individual spectra.
Definition at line 198 of file CrystalFieldControl.cpp.
References Mantid::API::CompositeFunction::addFunction(), Mantid::API::CompositeFunction::declareAttribute(), and m_temperatures.
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::getAttributeReference(), and setAttribute().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildMultiSite | ( | ) |
Build the source function in a multi site case.
Definition at line 251 of file CrystalFieldControl.cpp.
References buildMultiSiteMultiSpectrum(), buildMultiSiteSingleSpectrum(), and isMultiSpectrum().
Referenced by buildSource().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildMultiSiteMultiSpectrum | ( | ) |
Build the source function in a multi site - multi spectrum case.
Definition at line 302 of file CrystalFieldControl.cpp.
References Mantid::API::IFunction::getAttribute(), m_ions, and m_symmetries.
Referenced by buildMultiSite().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildMultiSiteSingleSpectrum | ( | ) |
Build the source function in a multi site - single spectrum case.
Definition at line 284 of file CrystalFieldControl.cpp.
References Mantid::API::IFunction::Attribute::asVector(), Mantid::API::IFunction::getAttribute(), Mantid::API::CompositeFunction::getAttribute(), m_ions, m_symmetries, and temperatures().
Referenced by buildMultiSite().
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private |
Build control functions for phys properties.
Definition at line 211 of file CrystalFieldControl.cpp.
References Mantid::API::CompositeFunction::addFunction(), and m_temperatures.
Referenced by setAttribute().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildSingleSite | ( | ) |
Build the source function in a single site case.
Definition at line 242 of file CrystalFieldControl.cpp.
References buildSingleSiteMultiSpectrum(), buildSingleSiteSingleSpectrum(), and isMultiSpectrum().
Referenced by buildSource().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildSingleSiteMultiSpectrum | ( | ) |
Build the source function in a single site - multi spectrum case.
Definition at line 274 of file CrystalFieldControl.cpp.
References Mantid::API::IFunction::getAttribute(), m_ions, and m_symmetries.
Referenced by buildSingleSite().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildSingleSiteSingleSpectrum | ( | ) |
Build the source function in a single site - single spectrum case.
Definition at line 260 of file CrystalFieldControl.cpp.
References Mantid::API::IFunction::getAttribute(), m_ions, m_symmetries, and m_temperatures.
Referenced by buildSingleSite().
API::IFunction_sptr Mantid::CurveFitting::Functions::CrystalFieldControl::buildSource | ( | ) |
Build the source function.
Definition at line 231 of file CrystalFieldControl.cpp.
References buildMultiSite(), buildSingleSite(), cacheAttributes(), checkConsistent(), and isMultiSite().
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSourceFunction().
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private |
Cache the attributes.
Cache function attributes.
Definition at line 107 of file CrystalFieldControl.cpp.
References Mantid::API::IFunction::Attribute::asVector(), Mantid::API::CompositeFunction::getAttribute(), Mantid::API::CompositeFunction::getFunction(), m_fwhmX, m_fwhmY, and m_temperatures.
Referenced by buildSource().
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private |
Check that everything is consistent.
Check that all attributes are consistent.
Definition at line 128 of file CrystalFieldControl.cpp.
References Mantid::API::CompositeFunction::getFunction(), m_FWHMs, m_fwhmX, m_fwhmY, m_ions, m_symmetries, m_temperatures, Mantid::API::CompositeFunction::nFunctions(), physProps(), and std::to_string().
Referenced by buildSource().
const std::vector< double > & Mantid::CurveFitting::Functions::CrystalFieldControl::FWHMs | ( | ) | const |
Definition at line 193 of file CrystalFieldControl.cpp.
References m_FWHMs.
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::buildMultiSiteMultiSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildMultiSiteSingleSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSingleSiteMultiSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSingleSiteSingleSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::updateMultiSiteMultiSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::updateMultiSiteSingleSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::updateSingleSiteMultiSpectrum(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::updateSingleSiteSingleSpectrum().
bool Mantid::CurveFitting::Functions::CrystalFieldControl::hasPeaks | ( | ) | const |
Any peaks defined?
Definition at line 225 of file CrystalFieldControl.cpp.
References m_temperatures.
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::hasPeaks().
bool Mantid::CurveFitting::Functions::CrystalFieldControl::hasPhysProperties | ( | ) | const |
Check if there are any phys. properties.
Definition at line 228 of file CrystalFieldControl.cpp.
References m_physProps.
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::hasPhysProperties().
bool Mantid::CurveFitting::Functions::CrystalFieldControl::isMultiSite | ( | ) | const |
Are there multiple ions?
Check if the function is set up for a multi-site calculations.
(Multiple ions defined)
Definition at line 220 of file CrystalFieldControl.cpp.
References m_ions.
Referenced by buildSource(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::isMultiSite().
bool Mantid::CurveFitting::Functions::CrystalFieldControl::isMultiSpectrum | ( | ) | const |
Is it a multi-spectrum case?
Definition at line 222 of file CrystalFieldControl.cpp.
References m_physProps, and m_temperatures.
Referenced by buildMultiSite(), buildSingleSite(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::isMultiSpectrum().
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private |
Parse a comma-separated list attribute.
attName | :: A name of the attribute to parse. |
value | :: A value to parse. |
cache | :: A vector to cache the parsed values. |
Definition at line 92 of file CrystalFieldControl.cpp.
References Mantid::Kernel::StringTokenizer::begin(), Mantid::Kernel::StringTokenizer::end(), Mantid::API::CompositeFunction::getAttribute(), Mantid::Kernel::Strings::join(), Mantid::API::IFunction::setAttribute(), Mantid::Kernel::StringTokenizer::TOK_TRIM, and value.
Referenced by setAttribute().
const std::vector< std::string > & Mantid::CurveFitting::Functions::CrystalFieldControl::physProps | ( | ) | const |
Definition at line 195 of file CrystalFieldControl.cpp.
References m_physProps.
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::buildMultiSiteMultiSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSingleSiteMultiSpectrum(), checkConsistent(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::makeMapsSingleSiteMultiSpectrum().
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overridevirtual |
Set a value to attribute.
Set a value to attribute attName.
Reimplemented from Mantid::API::CompositeFunction.
Definition at line 46 of file CrystalFieldControl.cpp.
References Mantid::API::IFunction::Attribute::asString(), Mantid::API::IFunction::Attribute::asUnquotedString(), Mantid::API::IFunction::Attribute::asVector(), buildControls(), buildPhysPropControls(), Mantid::API::CompositeFunction::getFunction(), m_FWHMs, m_fwhmX, m_fwhmY, m_ions, m_physProps, m_symmetries, m_temperatures, Mantid::API::CompositeFunction::name(), parseStringListAttribute(), Mantid::API::IFunction::setAttribute(), and Mantid::API::IFunction::setAttributeValue().
const std::vector< double > & Mantid::CurveFitting::Functions::CrystalFieldControl::temperatures | ( | ) | const |
Definition at line 191 of file CrystalFieldControl.cpp.
References m_temperatures.
Referenced by Mantid::CurveFitting::Functions::CrystalFieldFunction::buildMultiSiteMultiSpectrum(), buildMultiSiteSingleSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::buildSingleSiteMultiSpectrum(), Mantid::CurveFitting::Functions::CrystalFieldFunction::updateMultiSiteMultiSpectrum(), and Mantid::CurveFitting::Functions::CrystalFieldFunction::updateSingleSiteMultiSpectrum().
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Cache the default peak FWHMs.
Definition at line 71 of file CrystalFieldControl.h.
Referenced by checkConsistent(), FWHMs(), and setAttribute().
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Caches of the width functions.
Definition at line 73 of file CrystalFieldControl.h.
Referenced by cacheAttributes(), checkConsistent(), and setAttribute().
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Definition at line 74 of file CrystalFieldControl.h.
Referenced by cacheAttributes(), checkConsistent(), and setAttribute().
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The ion names
Definition at line 65 of file CrystalFieldControl.h.
Referenced by buildMultiSiteMultiSpectrum(), buildMultiSiteSingleSpectrum(), buildSingleSiteMultiSpectrum(), buildSingleSiteSingleSpectrum(), checkConsistent(), isMultiSite(), and setAttribute().
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The physical properties.
Definition at line 76 of file CrystalFieldControl.h.
Referenced by hasPhysProperties(), isMultiSpectrum(), physProps(), and setAttribute().
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The symmetries.
Definition at line 67 of file CrystalFieldControl.h.
Referenced by buildMultiSiteMultiSpectrum(), buildMultiSiteSingleSpectrum(), buildSingleSiteMultiSpectrum(), buildSingleSiteSingleSpectrum(), checkConsistent(), and setAttribute().
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The temperatures.
Definition at line 69 of file CrystalFieldControl.h.
Referenced by buildControls(), buildPhysPropControls(), buildSingleSiteSingleSpectrum(), cacheAttributes(), checkConsistent(), hasPeaks(), isMultiSpectrum(), setAttribute(), and temperatures().