This class manages all the properties attached to an atom. More...

#include <AtomProperties.h>

Public Member Functions
	AtomProperties (PhysicalModel *myPM)
	Default constructor : set the position to the origin, and generate an unique index.
	AtomProperties (PhysicalModel *myPM, const double pos[3])
	generate an unique index.
	AtomProperties (PhysicalModel *myPM, const unsigned int ind)
	set the position to the origin
	AtomProperties (PhysicalModel *myPM, const unsigned int ind, const double pos[3])
	everything is given here
	AtomProperties (PhysicalModel *myPM, physicalModel::AtomProperties xmlAtomProp)
	constructor from xml node: try to read and get the properties from xml
void	getPosition (double pos[3]) const
	get the position of the atom (array of 3 doubles)
void	setPosition (const double, const double, const double)
	set the position of the atom
void	setPosition (const double[3])
	set the position of the atom
void	setPositionPointer (double *ptr, bool update=true)
	change the position pointer.
virtual void	xmlPrint (std::ostream &)
	print to an output stream in "pseudo" XML format.
	~AtomProperties () override
	the destructor...
Public Member Functions inherited from StructureProperties
unsigned int	getIndex () const
	return the unique index in the global structure
GeometricType	getType () const
	Return the type of force.
void	setIndex (const unsigned int)
	set the index (BECAREFUL: it MUST be unique !!!)
void	setType (const GeometricType t)
	Set the force type.
	StructureProperties (PhysicalModel *, const GeometricType)
	the only default constructor : type must be set
void	xmlPrint (std::ostream &) const
	print to an output stream in "pseaudo" XML format.
	~StructureProperties ()=default
Public Member Functions inherited from Properties
std::string	getName () const
	get the name (be careful, this method DOES NOT return a copy, so you got the direct ptr to the name!!!)
PhysicalModel *	getPhysicalModel () const
	get the physical model
	Properties (const std::string n="")
	A nice simple constructor, with a given name.
	Properties (PhysicalModel *, const std::string n="")
	Another nice constructor, with the PM and a name.
void	setName (std::string)
	set the name (use the string = operator)
void	setPhysicalModel (PhysicalModel *)
	set the physical model
virtual	~Properties ()=default
	The default destructor.
void	xmlToFields (xsd::cxx::tree::attribute_set< char > attrs)
	convert the xml node parameters to data fields
unsigned int	numberOfFields () const
	get the number of extra fields found in the PML
bool	isAField (std::string attName) const
	check if the field exist in the XML document, return false if it does not
std::string	getField (unsigned int) const
	get the name of field of given index
double	getDouble (std::string attName)
	field accessor: get the field attName as a double value, if field does not exist, 0.0 is return
int	getInt (std::string attName) const
	field accessor: get the field attName as an int value, if field does not exist, 0 is return
bool	getBool (std::string attName) const
	field accessor: get the field attName as a bool value, if field does not exist, false is return
std::string	getString (std::string attName) const
	field accessor: get the field attName as a string value, if field does not exist, empty string is return
void	get (std::string attName, std::string &attVal) const
	field accessor: get the field attName as a string value in attVal, if field does not exist, empty string is return
void	set (std::string attName, double val)
	field modificator: set field attName using a double value
void	set (std::string attName, int val)
	field modificator: set field attName using an int value
void	set (std::string attName, bool val)
	field modificator: set field attName using a bool value
void	set (std::string attName, std::string val)
	field modificator: set field attName using a string value

Static Public Member Functions
static void	resetUniqueIndex ()
	Reinitialize the unique index to zero (usually that what you want to do when you start to load a new PhysicalModel.
Static Public Member Functions inherited from StructureProperties
static std::string	toString (const GeometricType)
	return the string equivalent to this geometric type
static GeometricType	toType (const std::string)
	return the enum corresponding to this string

Additional Inherited Members
Public Types inherited from StructureProperties
enum	GeometricType { INVALID , ATOM , LINE , TRIANGLE , QUAD , TETRAHEDRON , WEDGE , PYRAMID , HEXAHEDRON , POLY_LINE , POLY_VERTEX }
	Geometric type gives information about which kind of geometric representation is the structure. More...
Protected Attributes inherited from StructureProperties
unsigned int	index
	unique index in the global structure
std::map< std::string, std::string >	fields
	map containing all the different fields (name, value stored as string )

Detailed Description

This class manages all the properties attached to an atom.

Constructor & Destructor Documentation

◆ AtomProperties() [1/5]

AtomProperties::AtomProperties ( PhysicalModel * myPM )

Default constructor : set the position to the origin, and generate an unique index.

Parameters

myPM	the physical model the atom belongs to

References StructureProperties::ATOM, StructureProperties::index, setPosition(), and StructureProperties::StructureProperties().

◆ AtomProperties() [2/5]

AtomProperties::AtomProperties	(	PhysicalModel *	myPM,
		physicalModel::AtomProperties	xmlAtomProp )

constructor from xml node: try to read and get the properties from xml

Parameters

myPM	the physical model the atom belongs to
xmlAtomProp	the xsd node of properties for this atom.

References StructureProperties::ATOM, StructureProperties::setIndex(), Properties::setName(), setPosition(), StructureProperties::StructureProperties(), and Properties::xmlToFields().

◆ AtomProperties() [3/5]

AtomProperties::AtomProperties	(	PhysicalModel *	myPM,
		const unsigned int	ind )

set the position to the origin

Parameters

myPM	the physical model the atom belongs to
ind	an unique index

References StructureProperties::ATOM, StructureProperties::index, setPosition(), and StructureProperties::StructureProperties().

◆ AtomProperties() [4/5]

AtomProperties::AtomProperties	(	PhysicalModel *	myPM,
		const double	pos[3] )

generate an unique index.

Parameters

myPM	the physical model the atom belongs to
pos	the initial position

References StructureProperties::ATOM, StructureProperties::index, setPosition(), and StructureProperties::StructureProperties().

◆ AtomProperties() [5/5]

AtomProperties::AtomProperties	(	PhysicalModel *	myPM,
		const unsigned int	ind,
		const double	pos[3] )

everything is given here

Parameters

myPM	the physical model the atom belongs to
pos	the initial position
ind	an unique index

References StructureProperties::ATOM, StructureProperties::index, setPosition(), and StructureProperties::StructureProperties().

◆ ~AtomProperties()

AtomProperties::~AtomProperties ( )

override

the destructor...

Member Function Documentation

◆ getPosition()

void AtomProperties::getPosition ( double pos[3] ) const

inline

get the position of the atom (array of 3 doubles)

Referenced by Atom::getPosition(), and setPositionPointer().

◆ resetUniqueIndex()

void AtomProperties::resetUniqueIndex ( )

static

Reinitialize the unique index to zero (usually that what you want to do when you start to load a new PhysicalModel.

◆ setPosition() [1/2]

void AtomProperties::setPosition	(	const double	x,
		const double	y,
		const double	z )

inline

set the position of the atom

◆ setPosition() [2/2]

void AtomProperties::setPosition ( const double pos[3] )

inline

set the position of the atom

Referenced by AtomProperties(), AtomProperties(), AtomProperties(), AtomProperties(), AtomProperties(), Atom::setPosition(), Atom::setPosition(), and setPositionPointer().

◆ setPositionPointer()

void AtomProperties::setPositionPointer	(	double *	ptr,
		bool	update = true )

change the position pointer.

This is useful to allocate a big bunch of memory with all the position in order to improve memory cache usage.

Note: this memory is not deleted/cleaned in ~AtomProperties (the destructor)

Parameters

ptr	the pointer to the memory (should have enough space for storing double[3]
update	update the new memory space using the previously stored position

References getPosition(), and setPosition().

◆ xmlPrint()

void AtomProperties::xmlPrint ( std::ostream & o )

virtual

print to an output stream in "pseudo" XML format.

References Properties::fields, Properties::getName(), and StructureProperties::index.

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

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ AtomProperties() [1/5]

◆ AtomProperties() [2/5]

◆ AtomProperties() [3/5]

◆ AtomProperties() [4/5]

◆ AtomProperties() [5/5]

◆ ~AtomProperties()

Member Function Documentation

◆ getPosition()

◆ resetUniqueIndex()

◆ setPosition() [1/2]

◆ setPosition() [2/2]

◆ setPositionPointer()

◆ xmlPrint()