This is the main class of this project. More...

#include <PhysicalModel.h>

Public Member Functions
properties general manipulation
const std::string	getName () const
	Return the name of the physical model. More...

void	setName (const std::string)
	set the name of the physical model More...

Properties *	getProperties ()
	get all properties (beware of what you do with them!): please consider calling setModified(). More...

bool	isModified ()
	check if something have changed More...

void	setModified ()
	tell the physical model something has changed (for example: a property was modified/added). More...

export to files
void	xmlPrint (std::ostream &o, bool opt=false)
	print the physical model to an output stream in a XML format (see physicalmodel.xsd for detail about the XML format). More...

void	exportPatran (std::string filename)
	Save the geometry (atoms/cells) of this PhysicalModel in the Patran format. More...

void	exportAnsysMesh (std::string filename)
	Save the mesh (atoms/cells) of this PhysicalModel in the Ansys format. More...

component manipulations
unsigned int	getNumberOfExclusiveComponents () const
	get the total number of exclusive components More...

unsigned int	getNumberOfInformativeComponents () const
	get the total number of informative components More...

unsigned int	getNumberOfAtoms () const
	get the number of atoms More...

unsigned int	getNumberOfCells () const
	get the total nr of cell in the physical model (exclusive as well as informative) More...

Component *	getExclusiveComponent (const unsigned int) const
	get an exclusive component by its index in the list More...

void	setExclusiveComponents (MultiComponent *)
	set the exclusive multi component. Becareful: the physical model takes control of this MultiComponent More...

MultiComponent *	getExclusiveComponents () const
	get all the exclusive components More...

MultiComponent *	getInformativeComponents () const
	get all the informative components More...

StructuralComponent *	getAtoms () const
	get all the atoms More...

Component *	getInformativeComponent (const unsigned int) const
	get an informative component by its index in the list More...

void	setInformativeComponents (MultiComponent *)
	set the exclusive multi component. Becareful: the physical model takes control of this MultiComponent More...

void	setAtoms (StructuralComponent *, bool deleteOld=true)
	set the atom structural component. More...

bool	addAtom (Atom *)
	Add a new atom to the atoms' structural component. More...

Atom *	getAtom (const unsigned int id)
	Get the atom that has the global index given in parameters. More...

bool	addGlobalIndexAtomPair (std::GlobalIndexStructurePair)
	add or update a pair to the atom map. More...

bool	addGlobalIndexCellPair (std::GlobalIndexStructurePair)
	add or update a pair to the cell map. More...

Cell *	getCell (const unsigned int id)
	get the cell that has the global index given in parameters. More...

Structure *	getStructureByName (const std::string n)
	get a cell using its name More...

Component *	getComponentByName (const std::string n)
	get a structural or multi component by its name. More...

virtual void	setProgress (const float donePercentage)
	this method is called during a long process everytime a little bit of the process is finished. More...

virtual void	setAtomPosition (Atom *atom, const double pos[3])
	Set the new position of an atom. More...

double *	getPositionPointer () const
	get the pointer to the memory space allocated for the atom's position. More...

double *	getPositionPointer (const unsigned int index) const
	get the pointer to the memory space allocated for atom #index's position (using global index) More...

double *	getPositionPointer (const Atom *a) const
	get the pointer to the memory space allocated for a given atom More...

Private Member Functions
void	clear ()
	Clear everything. That allows one to restart an allready instantiated object from scratch. More...

void	init ()
	initialization method More...

void	optimizeIndexes ()
	optimize atom and cell indexes so that each order number is equal to the index More...

void	optimizeIndexes (MultiComponent , unsigned int )
	optimize the indexes for a given multi component (new indexing will start using the parameter) More...

bool	parseAtoms (physicalModel::Atoms atomsRoot)
	read the atom list in the xml tree and build them. More...

bool	parseComponents (physicalModel::MultiComponent mcFather, Component *father, bool isExclusive)
	read the exclusive components list in the xml tree and build them. More...

bool	parseTree (std::unique_ptr< physicalModel::PhysicalModel > root, std::string defaultName)
	read the xml tree and call other parse methods to build the physicalModel. More...

void	xmlRead (const char *n)
	use the XML Parser/Reader to read an XML file conform to physicalmodel.dtd This method may throw a PMLAbortException if a problem occurs. More...

Private Attributes
std::GlobalIndexStructureMap	atomMap
	the association couple list, which contains the direct map between the atom's global index and the atom ptr More...

StructuralComponent *	atoms
	List of all the atoms : this is the basic stuff for a physicall model. More...

bool	cellIndexOptimized
	tell if optimizedCellList can be used More...

std::GlobalIndexStructureMap	cellMap
	the association couple list, which contains the direct map between the cell's global index and the cell ptr More...

MultiComponent *	exclusiveComponents
	Exclusive components are the non-overlaping components : they defined all the components of the physicalModel and the physicalModel could be defined by all this components. More...

MultiComponent *	informativeComponents
	Informative components could be overlaping with other components : they are extra components that give information about group of cells. More...

bool	isModifiedFlag
	is the current property state modified More...

std::vector< Cell * >	optimizedCellList
	optimized consecutive cell vector (in here `optimizedCellList[i]->getIndex() == i` ) More...

double *	positionPtr
	the big memory space where all the atom's position are stored (it is one big block, optimizing the memory cache management). Size = 3nrOfAtomssizeof(double) More...

Properties *	properties
	all physical model properties More...

PtrToSetProgressFunction	setProgressFunction
	the progress function More...

constructors and destructors.
static const char *	VERSION
	Current PML library version. More...

	PhysicalModel () noexcept
	Default constructor : this one just initialize everything. More...

	PhysicalModel (const char *fileName, PtrToSetProgressFunction pspf=nullptr)
	Instanciate a physical model object using a XML native format file This method may throw a PMLAbortException if a problem occurs. More...

virtual	~PhysicalModel ()
	destructor More...

Detailed Description

This is the main class of this project.

Following a nice concept, a physical model is able to represent any kind of 3D physical model that appeared, appears or will appear on earth. This include FEM meshes, spring-mass networks, phymulob etc...

Constructor & Destructor Documentation

◆ PhysicalModel() [1/2]

PhysicalModel::PhysicalModel ( )

noexcept

Default constructor : this one just initialize everything.

Structures and atoms are empty.

References init().

◆ PhysicalModel() [2/2]

PhysicalModel::PhysicalModel	(	const char *	fileName,
		PtrToSetProgressFunction	pspf = `nullptr`
	)

Instanciate a physical model object using a XML native format file This method may throw a PMLAbortException if a problem occurs.

Parameters

fileName	the name of the xml file to use
pspf	is a pointer to the method that will be called by the setProgress(...) method (default = NULL)

References init(), setProgressFunction, and xmlRead().

◆ ~PhysicalModel()

PhysicalModel::~PhysicalModel ( )

virtual

destructor

References clear().

Member Function Documentation

◆ addAtom()

bool PhysicalModel::addAtom ( Atom * newA )

Add a new atom to the atoms' structural component.

It does add the atom only if it has a unique index, otherwise nothing is done. (if index is correct, then it also call the addGlobalIndexAtomPair method).

Returns: true only if the atom was added

References addGlobalIndexAtomPair(), StructuralComponent::addStructure(), atoms, and Structure::getIndex().

◆ addGlobalIndexAtomPair()

bool PhysicalModel::addGlobalIndexAtomPair ( std::GlobalIndexStructurePair p )

add or update a pair to the atom map.

It does nothing if the atom already exist in the map

Returns: true only if the atom was added

References atomMap.

Referenced by addAtom(), setAtoms(), and Atom::setIndex().

◆ addGlobalIndexCellPair()

bool PhysicalModel::addGlobalIndexCellPair ( std::GlobalIndexStructurePair p )

add or update a pair to the cell map.

It does nothing if the cell already exist in the map

Returns: true only if the cell was added

References cellIndexOptimized, cellMap, and optimizedCellList.

Referenced by parseComponents(), and Cell::setIndex().

◆ clear()

void PhysicalModel::clear ( )

private

Clear everything. That allows one to restart an allready instantiated object from scratch.

References atomMap, atoms, cellMap, exclusiveComponents, informativeComponents, positionPtr, properties, CellProperties::resetUniqueIndex(), and AtomProperties::resetUniqueIndex().

Referenced by xmlRead(), and ~PhysicalModel().

◆ exportAnsysMesh()

void PhysicalModel::exportAnsysMesh ( std::string filename )

Save the mesh (atoms/cells) of this PhysicalModel in the Ansys format.

//@@ This method is useful only for a FEM (?) mesh. Maybe it's better to put it in a femPM class that inherits PhysicalModel???

References atoms, Component::getCell(), getComponentByName(), Structure::getIndex(), getNumberOfAtoms(), Component::getNumberOfCells(), StructuralComponent::getNumberOfStructures(), Atom::getPosition(), StructuralComponent::getStructure(), Structure::getType(), StructureProperties::HEXAHEDRON, StructureProperties::QUAD, StructureProperties::TETRAHEDRON, and StructureProperties::WEDGE.

Referenced by ArtisynthSimulator::runArtisynth(), and PrepWriter::write().

◆ exportPatran()

void PhysicalModel::exportPatran ( std::string filename )

Save the geometry (atoms/cells) of this PhysicalModel in the Patran format.

%%% This method is useful only for a FEM (?) mesh. Maybe it's better to put it in a femPM class that inherits PhysicalModel???

References getAtom(), Component::getCell(), getExclusiveComponent(), Structure::getIndex(), getName(), getNumberOfAtoms(), Component::getNumberOfCells(), StructuralComponent::getNumberOfStructures(), Atom::getPosition(), StructuralComponent::getStructure(), Structure::getType(), StructureProperties::HEXAHEDRON, and StructureProperties::WEDGE.

◆ getAtom()

Atom * PhysicalModel::getAtom ( const unsigned int id )

inline

Get the atom that has the global index given in parameters.

The global index of an atom is the index stored as its property. This is different from its rank in the atoms list as Physical Model do not nessecarily have consecutive indexes starting at 0.

Therefore:

getAtom(id) can therefore be different than getAtoms()->getStructure(id)
getAtom(id) is equivalent to getAtoms()->getStructureByIndex(id)

Parameters

id	the atom index in the physical model

Returns: the corresponding atom or NULL if non existant (i.e. no atoms have this index)

References Structure::getIndex().

Referenced by AtomIterator::AtomIterator(), MonitorNormDisplacement::calculate(), MonitorDisplacement::calculate(), MonitorRen::calculate(), Cell::Cell(), CreateSC::computeBoundsOfPointIds(), exportPatran(), SurfaceExtractor::generateExternalSurface(), Facet::getCell(), parseComponents(), PMLComponentExtension::save(), GenerateModel::saveMMLFiles(), Colors::update(), Arrows::update(), and Simulator::updatePositions().

◆ getAtoms()

StructuralComponent * PhysicalModel::getAtoms ( ) const

inline

get all the atoms

Referenced by CreateSC::apply(), getComponentByName(), Position::Position(), SofaSimulator::SofaSimulator(), Simulator::updatePositions(), and Atom::xmlPrint().

◆ getCell()

Cell * PhysicalModel::getCell ( const unsigned int id )

inline

get the cell that has the global index given in parameters.

Parameters

id	the cell index in the physical model

Returns: the corresponding cell or NULL if non existant (i.e. no cels have this index)

Referenced by CreateSC::computeBoundsOfCellIds().

◆ getComponentByName()

Component * PhysicalModel::getComponentByName ( const std::string n )

get a structural or multi component by its name.

Becareful: this method never returns a cell (only a structural component or a multiple component. To get a cell, use getStructureByName(..)

References exclusiveComponents, getAtoms(), MultiComponent::getComponentByName(), getName(), and informativeComponents.

Referenced by AtomIterator::AtomIterator(), MonitorVolume::calculate(), MonitorForce::calculate(), MonitorSurface::calculate(), exportAnsysMesh(), CreateSC::getWidget(), and SofaSimulator::SofaSimulator().

◆ getExclusiveComponent()

Component * PhysicalModel::getExclusiveComponent ( const unsigned int i ) const

get an exclusive component by its index in the list

References exclusiveComponents, and MultiComponent::getSubComponent().

Referenced by exportPatran().

◆ getExclusiveComponents()

MultiComponent * PhysicalModel::getExclusiveComponents ( ) const

inline

get all the exclusive components

Referenced by ParametersWriter::write().

◆ getInformativeComponent()

Component * PhysicalModel::getInformativeComponent ( const unsigned int i ) const

get an informative component by its index in the list

References MultiComponent::getSubComponent(), and informativeComponents.

◆ getInformativeComponents()

MultiComponent * PhysicalModel::getInformativeComponents ( ) const

inline

get all the informative components

Referenced by CreateSC::apply(), PMLComponentExtension::save(), and GenerateModel::saveMMLFiles().

◆ getName()

const std::string PhysicalModel::getName ( ) const

inline

Return the name of the physical model.

Referenced by exportPatran(), getComponentByName(), and xmlPrint().

◆ getNumberOfAtoms()

unsigned int PhysicalModel::getNumberOfAtoms ( ) const

get the number of atoms

References atoms, and StructuralComponent::getNumberOfStructures().

Referenced by exportAnsysMesh(), exportPatran(), SofaSimulator::SofaSimulator(), Arrows::update(), and Colors::update().

◆ getNumberOfCells()

unsigned int PhysicalModel::getNumberOfCells ( ) const

get the total nr of cell in the physical model (exclusive as well as informative)

References exclusiveComponents, MultiComponent::getNumberOfCells(), and informativeComponents.

Referenced by xmlPrint().

◆ getNumberOfExclusiveComponents()

unsigned int PhysicalModel::getNumberOfExclusiveComponents ( ) const

get the total number of exclusive components

References exclusiveComponents, and MultiComponent::getNumberOfSubComponents().

◆ getNumberOfInformativeComponents()

unsigned int PhysicalModel::getNumberOfInformativeComponents ( ) const

get the total number of informative components

References MultiComponent::getNumberOfSubComponents(), and informativeComponents.

◆ getPositionPointer() [1/3]

double * PhysicalModel::getPositionPointer ( ) const

get the pointer to the memory space allocated for the atom's position.

The memory is a big block of size getNumberOfAtoms()*3*sizeof(double). The atom positions are stored in the same order as in the atoms structural component

References positionPtr.

◆ getPositionPointer() [2/3]

double * PhysicalModel::getPositionPointer ( const unsigned int index ) const

get the pointer to the memory space allocated for atom #index's position (using global index)

References a, atoms, Structure::getIndex(), StructuralComponent::getStructure(), and positionPtr.

◆ getPositionPointer() [3/3]

double * PhysicalModel::getPositionPointer ( const Atom * a ) const

get the pointer to the memory space allocated for a given atom

References atoms, Atom::getIndexInAtoms(), StructuralComponent::getStructure(), and positionPtr.

◆ getProperties()

Properties * PhysicalModel::getProperties ( )

inline

get all properties (beware of what you do with them!): please consider calling setModified().

When you modify/add a property (or the physical model or any component/structure), you should always call setModified() in order to specify that something has changed.

◆ getStructureByName()

Structure * PhysicalModel::getStructureByName ( const std::string n )

inline

get a cell using its name

◆ init()

void PhysicalModel::init ( )

private

initialization method

References atoms, cellIndexOptimized, exclusiveComponents, informativeComponents, isModifiedFlag, positionPtr, properties, and setProgressFunction.

Referenced by PhysicalModel().

◆ isModified()

bool PhysicalModel::isModified ( )

inline

check if something have changed

◆ optimizeIndexes() [1/2]

void PhysicalModel::optimizeIndexes ( )

private

optimize atom and cell indexes so that each order number is equal to the index

References atoms, exclusiveComponents, StructuralComponent::getNumberOfStructures(), StructuralComponent::getStructure(), and informativeComponents.

Referenced by optimizeIndexes(), and xmlPrint().

◆ optimizeIndexes() [2/2]

void PhysicalModel::optimizeIndexes	(	MultiComponent *	mc,
		unsigned int *	index
	)

private

optimize the indexes for a given multi component (new indexing will start using the parameter)

References StructuralComponent::getNumberOfStructures(), MultiComponent::getNumberOfSubComponents(), StructuralComponent::getStructure(), MultiComponent::getSubComponent(), Structure::isInstanceOf(), Component::isInstanceOf(), Cell::makePrintData(), optimizeIndexes(), and Cell::setIndex().

◆ parseAtoms()

bool PhysicalModel::parseAtoms ( physicalModel::Atoms atomsRoot )

private

read the atom list in the xml tree and build them.

References StructuralComponent::addStructure(), atoms, StructuralComponent::plannedNumberOfStructures(), and setAtoms().

Referenced by parseTree().

◆ parseComponents()

bool PhysicalModel::parseComponents	(	physicalModel::MultiComponent	mcFather,
		Component *	father,
		bool	isExclusive
	)

private

read the exclusive components list in the xml tree and build them.

References a, addGlobalIndexCellPair(), StructuralComponent::addStructure(), cellIndexOptimized, getAtom(), Structure::getIndex(), Component::setExclusive(), and Component::setName().

Referenced by parseTree().

◆ parseTree()

bool PhysicalModel::parseTree	(	std::unique_ptr< physicalModel::PhysicalModel >	root,
		std::string	defaultName
	)

private

read the xml tree and call other parse methods to build the physicalModel.

References a, atoms, StructuralComponent::getNumberOfStructures(), Atom::getProperties(), StructuralComponent::getStructure(), parseAtoms(), parseComponents(), positionPtr, properties, setExclusiveComponents(), setInformativeComponents(), AtomProperties::setPositionPointer(), and Properties::xmlToFields().

Referenced by xmlRead().

◆ setAtomPosition()

void PhysicalModel::setAtomPosition	(	Atom *	atom,
		const double	pos[3]
	)

virtual

Set the new position of an atom.

References Atom::setPosition().

◆ setAtoms()

void PhysicalModel::setAtoms	(	StructuralComponent *	sc,
		bool	deleteOld = `true`
	)

set the atom structural component.

Becareful: the physical model takes control of this structural component

Parameters

sc	the new atom structural component
deleteOld	if true, then the old atoms SC is delete (thus deleting its atoms as well)

References a, addGlobalIndexAtomPair(), StructuralComponent::ATOMS, atoms, StructuralComponent::composedBy(), Structure::getIndex(), StructuralComponent::getNumberOfStructures(), Atom::getProperties(), StructuralComponent::getStructure(), and Properties::setPhysicalModel().

Referenced by parseAtoms(), and PMLComponentExtension::save().

◆ setExclusiveComponents()

void PhysicalModel::setExclusiveComponents ( MultiComponent * mc )

set the exclusive multi component. Becareful: the physical model takes control of this MultiComponent

References exclusiveComponents, and MultiComponent::setPhysicalModel().

Referenced by parseTree(), and PMLComponentExtension::save().

◆ setInformativeComponents()

void PhysicalModel::setInformativeComponents ( MultiComponent * mc )

set the exclusive multi component. Becareful: the physical model takes control of this MultiComponent

References informativeComponents, and MultiComponent::setPhysicalModel().

Referenced by CreateSC::apply(), parseTree(), and PMLComponentExtension::save().

◆ setModified()

void PhysicalModel::setModified ( )

inline

tell the physical model something has changed (for example: a property was modified/added).

This can be useful to check if something has changed since the PhysicalModel was created.

◆ setName()

void PhysicalModel::setName ( const std::string n )

inline

set the name of the physical model

◆ setProgress()

void PhysicalModel::setProgress ( const float donePercentage )

virtual

this method is called during a long process everytime a little bit of the process is finished.

This method should be overloaded by the subclass to give a mean to produce a progress bar or equivalent gui/hmi stuff.

Parameters

donePercentage the percentage (between 0 and 100) of the work already done

References setProgressFunction.

◆ xmlPrint()

void PhysicalModel::xmlPrint	(	std::ostream &	o,
		bool	opt = `false`
	)

print the physical model to an output stream in a XML format (see physicalmodel.xsd for detail about the XML format).

By default the output is not optimized (optimized = faster loading). In order to optimize, the cell and atom indexes are renumbered to be consecutive, so access to cell_i or atom_i is done in linear time. There are many reasons why you would not want to optimize the output, e.g. if you have a specific cell numbering that you are using somewhere else, in a different software or so.

Parameters

o	the ostream to write to
opt	a boolean indicating if yes or no you want the pm to optimize the output

References atoms, cellIndexOptimized, exclusiveComponents, Properties::getField(), getName(), getNumberOfCells(), StructuralComponent::getNumberOfStructures(), MultiComponent::getNumberOfSubComponents(), Properties::getString(), informativeComponents, isModifiedFlag, Properties::numberOfFields(), optimizeIndexes(), properties, MultiComponent::xmlPrint(), and StructuralComponent::xmlPrint().

Referenced by PMLComponentExtension::save(), and GenerateModel::saveMMLFiles().

◆ xmlRead()

void PhysicalModel::xmlRead ( const char * n )

private

use the XML Parser/Reader to read an XML file conform to physicalmodel.dtd This method may throw a PMLAbortException if a problem occurs.

Parameters

n	the name of the XML file

References clear(), and parseTree().

Referenced by PhysicalModel().

Member Data Documentation

◆ atomMap

std::GlobalIndexStructureMap PhysicalModel::atomMap

private

the association couple list, which contains the direct map between the atom's global index and the atom ptr

Referenced by addGlobalIndexAtomPair(), and clear().

◆ atoms

StructuralComponent* PhysicalModel::atoms

private

List of all the atoms : this is the basic stuff for a physicall model.

The smallest entity here

Referenced by addAtom(), clear(), exportAnsysMesh(), getNumberOfAtoms(), getPositionPointer(), init(), optimizeIndexes(), parseAtoms(), parseTree(), setAtoms(), and xmlPrint().

◆ cellIndexOptimized

bool PhysicalModel::cellIndexOptimized

private

tell if optimizedCellList can be used

Referenced by addGlobalIndexCellPair(), init(), parseComponents(), and xmlPrint().

◆ cellMap

std::GlobalIndexStructureMap PhysicalModel::cellMap

private

the association couple list, which contains the direct map between the cell's global index and the cell ptr

Referenced by addGlobalIndexCellPair(), and clear().

◆ exclusiveComponents

MultiComponent* PhysicalModel::exclusiveComponents

private

Exclusive components are the non-overlaping components : they defined all the components of the physicalModel and the physicalModel could be defined by all this components.

exclusiveComponents could only contains StructuralComponents...

Referenced by clear(), getComponentByName(), getExclusiveComponent(), getNumberOfCells(), getNumberOfExclusiveComponents(), init(), optimizeIndexes(), setExclusiveComponents(), and xmlPrint().

◆ informativeComponents

MultiComponent* PhysicalModel::informativeComponents

private

Informative components could be overlaping with other components : they are extra components that give information about group of cells.

This components are not mandatory.

Referenced by clear(), getComponentByName(), getInformativeComponent(), getNumberOfCells(), getNumberOfInformativeComponents(), init(), optimizeIndexes(), setInformativeComponents(), and xmlPrint().

◆ isModifiedFlag

bool PhysicalModel::isModifiedFlag

private

is the current property state modified

Referenced by init(), and xmlPrint().

◆ optimizedCellList

std::vector<Cell*> PhysicalModel::optimizedCellList

private

optimized consecutive cell vector (in here optimizedCellList[i]->getIndex() == i )

Referenced by addGlobalIndexCellPair().

◆ positionPtr

double* PhysicalModel::positionPtr

private

the big memory space where all the atom's position are stored (it is one big block, optimizing the memory cache management). Size = 3*nrOfAtoms*sizeof(double)

Referenced by clear(), getPositionPointer(), init(), and parseTree().

◆ properties

Properties* PhysicalModel::properties

private

all physical model properties

Referenced by clear(), init(), parseTree(), and xmlPrint().

◆ setProgressFunction

PtrToSetProgressFunction PhysicalModel::setProgressFunction

private

the progress function

Referenced by init(), PhysicalModel(), and setProgress().

◆ VERSION

const char* PhysicalModel::VERSION

static

Current PML library version.

The documentation for this class was generated from the following files:

Public Member Functions

Private Member Functions

Private Attributes

constructors and destructors.

Detailed Description

Constructor & Destructor Documentation

◆ PhysicalModel() [1/2]

◆ PhysicalModel() [2/2]

◆ ~PhysicalModel()

Member Function Documentation

◆ addAtom()

◆ addGlobalIndexAtomPair()

◆ addGlobalIndexCellPair()

◆ clear()

◆ exportAnsysMesh()

◆ exportPatran()

◆ getAtom()

◆ getAtoms()

◆ getCell()

◆ getComponentByName()

◆ getExclusiveComponent()

◆ getExclusiveComponents()

◆ getInformativeComponent()

◆ getInformativeComponents()

◆ getName()

◆ getNumberOfAtoms()

◆ getNumberOfCells()

◆ getNumberOfExclusiveComponents()

◆ getNumberOfInformativeComponents()

◆ getPositionPointer() [1/3]

◆ getPositionPointer() [2/3]

◆ getPositionPointer() [3/3]

◆ getProperties()

◆ getStructureByName()

◆ init()

◆ isModified()

◆ optimizeIndexes() [1/2]

◆ optimizeIndexes() [2/2]

◆ parseAtoms()

◆ parseComponents()

◆ parseTree()

◆ setAtomPosition()

◆ setAtoms()

◆ setExclusiveComponents()

◆ setInformativeComponents()

◆ setModified()

◆ setName()

◆ setProgress()

◆ xmlPrint()

◆ xmlRead()

Member Data Documentation

◆ atomMap

◆ atoms

◆ cellIndexOptimized

◆ cellMap

◆ exclusiveComponents

◆ informativeComponents

◆ isModifiedFlag

◆ optimizedCellList

◆ positionPtr

◆ properties

◆ setProgressFunction

◆ VERSION