This class decribe a crystal structure. More...

#include <SM_CrystalStructure.h>

Inheritance diagram for SM_CrystalStructure:

[legend]

Collaboration diagram for SM_CrystalStructure:

Public Member Functions
virtual tMemSize	getMemorySize () const
	return the memory size of the class and the memory size of all its attributes/associations More...

virtual tMemSize	getContentsMemorySize () const
	return the memory size of the included associations More...

virtual CORE_UniquePointer< SM_CrystalStructure >	newInstance () const =0
	create new instance of the network More...

virtual void	copy (const SM_CrystalStructure &s)
	copy the structure More...

const tString &	getName () const
	get the name of the structure (in constructor)

const tUCInt &	getCoordinationNumber () const
	get the coodination number More...

const tUCInt &	getAtomsNumber () const
	get the atoms number More...

void	setUnitCellSize (const tReal &a)
	set unit cell size More...

void	setUnitCellSize (const std::array< tReal, SM_Constants::DIM > &as)
	set unit cell size More...

void	setUnitCellSize (const std::vector< tReal > &as)
	set unit cell size More...

void	setUnitCellSize (std::initializer_list< tReal > &&as)
	set unit cell size More...

const std::array< tReal, SM_Constants::DIM > &	getUnitCellSize () const
	get unit cell size More...

const tReal &	getUnitVolume () const
	get unit volume More...

tReal	getAtomVolume () const
	get atom volume in angstrom^3

const tReal &	getAtomVolumeWeight () const
	get atom volume weight with no unit

void	setAtomVolumeWeight (const tReal &weight)
	set atom volume weight in angstrom More...

virtual tString	toString () const override
	turn the class into a string representation More...

Public Member Functions inherited from SM_Object
	SM_Object (void)
	create

virtual	~SM_Object (void)
	destroy

Public Member Functions inherited from CORE_Object
template<class T >
std::shared_ptr< T >	getSharedPointer ()
	return the shared pointer for this More...

template<class T >
std::shared_ptr< const T >	getConstSharedPointer () const
	return a const shared pointer for this More...

template<class T >
tBoolean	isInstanceOf () const
	test if the clas T is an instance of this class More...

tString	getClassName () const
	return the name of the class More...

tString	getPointerString () const
	retrun the pointer of the class as a string More...

tString	getIdentityString () const
	retrun the string identification of the class More...

Protected Member Functions
	SM_CrystalStructure (void)
	create a network class

virtual	~SM_CrystalStructure (void)
	destroy

void	setName (const tString &name)
	set the name of the structure (in constructor)

void	setCoordinationNumber (const tUCInt &n)
	set the coordination number More...

void	setAtomsNumber (const tUCInt &n)
	set the atoms number per unit cell More...

Protected Member Functions inherited from CORE_Object
	CORE_Object ()
	build an instance of the object

virtual	~CORE_Object ()
	destroy the instance of object std

Additional Inherited Members
Static Public Member Functions inherited from CORE_Object
static tBoolean	EnableMemoryStack (const tBoolean &isMemoryChecked)
	enable the memory stack More...

static void	EnableMemoryStack ()
	enable the memory stack

static void	DisableMemoryStack ()
	disable the memory stack

static tBoolean	IsMemoryStackEnabled ()
	return trur if the memory stack is enabled

static tString	MemoryStackToString ()
	get the memory stack in string More...

static tIndex	GetRegisteredClassesNumber ()
	get the memory stack in string More...

Detailed Description

This class decribe a crystal structure.

The class contains the attibutes data :

mName : the name of the structure in {'bcc','hcc','grid1d','grid2d','grid3d','cgrid1d','cgrid2d','cgrid3d'}
mCoordinationNumber : the maximum number of neighboring particles per particle
mAtomsNumber : the number of atoms per unit cell
mAtomVolumeWeight : the volume of 1 atom
mUnitVolume : the volume of unit cell
mUnitCellSize : the size of unit cell per direction

The crystal structures are implemented in crystal structures package of Stoch Magnet module

Author: Stephane Despreaux

Version: 3.0

Member Function Documentation

◆ copy()

virtual void SM_CrystalStructure::copy ( const SM_CrystalStructure & s )

inlinevirtual

copy the structure

Parameters

[in] s : the structure to copy

◆ getAtomsNumber()

const tUCInt& SM_CrystalStructure::getAtomsNumber ( ) const

inline

get the atoms number

Returns: the number of atoms per unit cell

◆ getContentsMemorySize()

virtual tMemSize SM_CrystalStructure::getContentsMemorySize ( ) const

inlinevirtual

return the memory size of the included associations

Returns: the memory size of the storage in bytes 1 Kb = 1024 bytes 1 Mb = 1024 Kb 1 Gb = 1024 Mb 1 Tb = 1024 Gb 1 Hb = 1024 Tb

Reimplemented from CORE_Object.

Reimplemented in SM_FCCStructure, SM_BCCStructure, and SM_BCC2Structure.

◆ getCoordinationNumber()

const tUCInt& SM_CrystalStructure::getCoordinationNumber ( ) const

inline

get the coodination number

Returns: the number of neighboring particles

◆ getMemorySize()

virtual tMemSize SM_CrystalStructure::getMemorySize ( ) const

inlinevirtual

return the memory size of the class and the memory size of all its attributes/associations

Returns

the memory size of the class and the memory size of its attributes/associations in bytes The mamory size is :

the added size of the base classes which contains:
- the primary attributes size depends on the order: (first delare the smallest attributes size
- all virtual functions costs <pointer-size> (4 32xor 8 64x) bytes by virtual function
- virtual inherihtance will increase of (4 or 8) bytes
we add the size of the contains values of the attributes : for example the size of a string is the length of the string 1 octet = 1 byte 1 Ko = 1024 bytes 1 Mo = 1024 Ko 1 Go = 1024 Mo

Reimplemented from SM_Object.

Reimplemented in SM_FCCStructure, SM_BCCStructure, and SM_BCC2Structure.

◆ getUnitCellSize()

const std::array<tReal,SM_Constants::DIM>& SM_CrystalStructure::getUnitCellSize ( ) const

inline

get unit cell size

Returns: the unit cell size

◆ getUnitVolume()

const tReal& SM_CrystalStructure::getUnitVolume ( ) const

inline

get unit volume

Returns: the unit volume

◆ newInstance()

virtual CORE_UniquePointer<SM_CrystalStructure> SM_CrystalStructure::newInstance ( ) const

pure virtual

create new instance of the network

Returns: an unique pointer to a new instance of this class

Implemented in SM_FCCStructure, SM_BCCStructure, and SM_BCC2Structure.

◆ setAtomsNumber()

void SM_CrystalStructure::setAtomsNumber ( const tUCInt & n )

inlineprotected

set the atoms number per unit cell

Parameters

[in] n : number of atoms per unit cell

◆ setAtomVolumeWeight()

void SM_CrystalStructure::setAtomVolumeWeight ( const tReal & weight )

inline

set atom volume weight in angstrom

Parameters

[in] weight : weight of the atome by volume unit the atome volume is atomeVolumeWeight * unitCellVolume

◆ setCoordinationNumber()

void SM_CrystalStructure::setCoordinationNumber ( const tUCInt & n )

inlineprotected

set the coordination number

Parameters

[in] n : number of neighboring particles

◆ setUnitCellSize() [1/4]

void SM_CrystalStructure::setUnitCellSize ( const std::array< tReal, SM_Constants::DIM > & as )

inline

set unit cell size

Parameters

[in] as : size in Agstrom per direction

◆ setUnitCellSize() [2/4]

void SM_CrystalStructure::setUnitCellSize ( const std::vector< tReal > & as )

inline

set unit cell size

Parameters

[in] as : size in Agstrom per direction

◆ setUnitCellSize() [3/4]

void SM_CrystalStructure::setUnitCellSize ( const tReal & a )

inline

set unit cell size

Parameters

[in] a : size in Agstrom for all direction

◆ setUnitCellSize() [4/4]

void SM_CrystalStructure::setUnitCellSize ( std::initializer_list< tReal > && as )

inline

set unit cell size

Parameters

[in] as : size in Agstrom per direction

◆ toString()

virtual tString SM_CrystalStructure::toString ( ) const

inlineoverridevirtual

turn the class into a string representation

Returns: a string representation of the class

Reimplemented from CORE_Object.

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

/home/despreau/Developpement/CPP/devcpp20/include/stochmagnet/core/SM_CrystalStructure.h

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ copy()

◆ getAtomsNumber()

◆ getContentsMemorySize()

◆ getCoordinationNumber()

◆ getMemorySize()

◆ getUnitCellSize()

◆ getUnitVolume()

◆ newInstance()

◆ setAtomsNumber()

◆ setAtomVolumeWeight()

◆ setCoordinationNumber()

◆ setUnitCellSize() [1/4]

◆ setUnitCellSize() [2/4]

◆ setUnitCellSize() [3/4]

◆ setUnitCellSize() [4/4]

◆ toString()