atomicrex
0.1
An advanced atomistic model building tool
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#include <FitGroup.h>
Public Member Functions | |
FitGroup (const FPString &id, FitJob *job) | |
Constructor. | |
FitGroup * | parentGroup () const |
Returns the parent of this group (or NULL if this is the root node). | |
FitGroup * | createSubGroup (const FPString &id, FitJob *job) |
Creates a new child property group. | |
virtual void | parseElement (XML::Element groupElement, FitJob *job) |
Parses the contents of the <group> elements in the job file. | |
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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 void | assignAbsoluteWeights (double absoluteWeight) |
Recursively assigns absolute weights to the properties of this object and its sub-objects. | |
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. | |
virtual void | print (MsgLogger &stream) |
Outputs the name of the object. | |
virtual void | parse (XML::Element element) |
Parses the base parameters, common to structures, groups, and potentials, from the XML element in the job file. | |
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 | |
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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. | |
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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. | |
A node in the hierarchical tree of structure and property groups.