#include <FitProperty.h>
Inheritance diagram for atomicrex::CoupledFitProperty:
Public Member Functions | |
| CoupledFitProperty (ScalarDOF &dof, const FPString &units, FitJob *job) | |
| Constructor. | |
| ScalarDOF & | dof () const |
| Returns the degree of freedom to which this property is coupled. | |
| virtual void | compute () override |
| Lets the property object compute the current value of the property. | |
| virtual void | print (MsgLogger &stream) override |
| Outputs the current value of the property. | |
| virtual void | parse (XML::Element propertyElement) override |
| Parse the contents of the <property> element in the job file. | |
 Public Member Functions inherited from atomicrex::ScalarFitProperty | |
| ScalarFitProperty () | |
| Default constructor. | |
| ScalarFitProperty (const FPString &id, const FPString &units, FitJob *job) | |
| Initialization constructor. | |
| void | initialize (const FPString &id, const FPString &units, FitJob *job) |
| Initializes the property object. This method must be called if the default constructor has been used. | |
| virtual double | residual (ResidualNorm norm) const override |
| Returns the residual of this property used for fitting. | |
| operator double () const | |
| Returns the current computed value of the property. | |
| double | computedValue () const |
| Getter for _computedValue since double() operator was hard to interface. | |
| ScalarFitProperty & | operator= (double value) |
| Assigns a new value to the property. | |
| double | targetValue () |
| Returns target value (scalar) | |
| void | setTargetValue (double targetValue) |
| Sets target value. | |
| Public Member Functions inherited from atomicrex::FitProperty | |
| FitProperty () | |
| Default constructor. | |
| FitProperty (const FPString &id, const FPString &units, FitJob *job) | |
| Initialization constructor. | |
| void | initialize (const FPString &id, const FPString &units, FitJob *job) |
| Initializes the property object. This method must be called if the default constructor was used to create this property. | |
| bool | shouldCompute (bool isFitting) const |
| Returns whether this property should be computed because it is included in the fit and/or in the output. | |
| void | assignAbsoluteWeights (double absoluteWeight) override |
| Recursively assigns absolute weights to the properties. | |
| double | absoluteWeight () const |
| Returns the absolute fit weight assigned to this object. | |
| double | tolerance () const |
| Returns the tolerance assigned to this fit property. | |
| void | setTolerance (double tolerance) |
| Sets the tolerance assigned to this fit property. | |
| ResidualNorm | residualNorm () const |
| Returns how residual contributions are calculated by this property. | |
| const FPString & | units () const |
| Returns the units of this property. | |
| Public Member Functions inherited from atomicrex::FitObject | |
| virtual | ~FitObject ()=default |
| Virtual destructor. | |
| double | relativeWeight () const |
| Returns the relative fit weight assigned to this object. | |
| void | setRelativeWeight (double weight) |
| Assigns a relative fit weight to this object. | |
| virtual bool | computeProperties (bool isFitting) |
| Computes all enabled properties of the object. | |
| const std::vector< FitProperty * > & | properties () const |
| Returns a list of fitting properties of this object. | |
| void | listAllProperties (std::vector< FitProperty *> &list) const |
| Builds a list of properties of this object and all its sub-objects. | |
| FitProperty * | propertyById (const FPString &id) const |
| Returns the property with the given ID. | |
| const std::vector< DegreeOfFreedom * > & | DOF () const |
| Returns a list of degrees of freedom of this object. | |
| void | listAllDOF (std::vector< DegreeOfFreedom *> &list) const |
| Builds a list of degrees of freedom of this object and all its sub-objects. | |
| DegreeOfFreedom * | DOFById (const FPString &id, const FPString &tag=FPString()) const |
| Returns the degree of freedom with the given ID (and tag). | |
| virtual void | dofValueChanged (DegreeOfFreedom &dof) |
| This callback function is called by the DOFs of this fit object each time when their values changes. | |
| const std::vector< FitObject * > & | fitObjects () const |
| Returns the list of FitObjects which are part of this group. | |
| void | registerSubObject (FitObject *subobject, bool deleteOnShutdown=false) |
| Registers a sub-object. | |
| bool | fitEnabled () const |
| Returns whether this object and it's children are included in the fit. | |
| void | setFitEnabled (bool enable) |
| Sets whether this object and it's children are included in the fit. | |
| bool | outputEnabled () const |
| void | setOutputEnabled (bool enable) |
| const FPString & | id () const |
| Returns the identifier of this object instance. | |
| void | setId (const FPString &id) |
| Sets the main identification tag. | |
| const FPString & | tag () const |
| Returns the assigned tag string. | |
| void | setTag (const FPString &tag) |
| Sets the complementary identification tag. | |
| FitJob * | job () const |
| Returns a pointer to the job to which this object belongs. | |
| FitObject * | parent () const |
| Returns the parent of this object in the hierarchy. | |
Additional Inherited Members | |
| Public Types inherited from atomicrex::FitProperty | |
| enum | ResidualNorm { UserDefined, Squared, SquaredRelative, AbsoluteDiff } |
| Specifies how residual contributions are calculated. More... | |
| Protected Member Functions inherited from atomicrex::FitObject | |
| FitObject () | |
| Default Constructor. | |
| FitObject (const FPString &id, FitJob *job, const FPString &tag=FPString()) | |
| Constructor. | |
| void | registerProperty (FitProperty *prop, bool deleteOnShutdown=false) |
| Registers a property of this object. | |
| void | registerDOF (DegreeOfFreedom *dof) |
| Registers a DOF of this object. | |
| Protected Attributes inherited from atomicrex::ScalarFitProperty | |
| double | _computedValue |
| The computed value of the property. | |
| double | _targetValue |
| The target value for the property. | |
| Protected Attributes inherited from atomicrex::FitProperty | |
| double | _absoluteWeight = 1.0 |
| The weight factor which is applied to the residual. | |
| ResidualNorm | _residualNorm = Squared |
| Specifies how residual contributions are calculated. | |
| FPString | _units |
| The units of this property. | |
| Protected Attributes inherited from atomicrex::FitObject | |
| bool | _fitEnabled = true |
| Controls whether this object and it's children are included in the fit. | |
| bool | _outputEnabled = true |
| FitJob * | _job = nullptr |
| Pointer to the job this object belongs to. | |
| FPString | _id |
| The identifier string of this object instance. | |
| double | _relativeWeight = 1.0 |
| The relative fit weight assigned to this object. | |
Detailed Description
This type of scalar property is directly coupled to a degree of freedom of a structure.
This only makes real sense if the corresponding DOF is being relaxed. That is, if the actual value of the DOF differs from what is being set by the user (or the minimizer routine).
If the coupled property is set to be computed, then the corresponding degree of freedom is being relaxed, and the value of the degree of freedom after relaxation becomes the value of the property.
The documentation for this class was generated from the following files:
- FitProperty.h
- FitProperty.cpp
