xVASPRUNXML Class Reference

#include <aflow.h>

Inheritance diagram for xVASPRUNXML:

Public Member Functions
	xVASPRUNXML (std::ostream &oss=std::cout)
	xVASPRUNXML (std::ofstream &FileMESSAGE, std::ostream &oss=std::cout)
	xVASPRUNXML (const std::string &fileIN, bool=true, std::ostream &oss=std::cout)
	xVASPRUNXML (const std::string &fileIN, std::ofstream &FileMESSAGE, bool=true, std::ostream &oss=std::cout)
bool	initialize (const std::string &fileIN, std::ostream &oss, bool=true)
bool	initialize (const std::string &fileIN, std::ofstream &FileMESSAGE, std::ostream &oss, bool=true)
bool	initialize (const std::string &fileIN, bool=true)
	xVASPRUNXML (const xVASPRUNXML &b)
	~xVASPRUNXML ()
const xVASPRUNXML &	operator= (const xVASPRUNXML &b)
void	clear ()
bool	GetProperties (const std::stringstream &stringstreamIN, bool=true)
bool	GetProperties (const std::string &stringIN, bool=true)
bool	GetPropertiesFile (const std::string &fileIN, bool=true)
bool	GetPropertiesUrlFile (const std::string &url, const std::string &file, bool=true)
bool	GetForces (const std::string &, bool=true)
bool	GetForcesFile (const std::string &, bool=true)
bool	GetForces (std::stringstream &, bool=true)
Public Member Functions inherited from JsonSerializable< xVASPRUNXML >
virtual	~JsonSerializable ()=default
aurostd::JSON::object	dumpToJson () const
std::string	dumpToString () const
void	dumpToFile (const std::filesystem::path &path, aurostd::compression_type compression=aurostd::compression_type::None) const

Public Attributes
bool	m_initialized
std::string	content
std::vector< std::string >	vcontent
std::string	filename
double	natoms
xmatrix< double >	stress
std::vector< aurostd::xvector< double > >	vkpoint
std::vector< aurostd::xvector< double > >	vweights
std::vector< aurostd::xvector< double > >	vforces

Protected Member Functions
aurostd::JSON::object	serialize () const override
	Performs the actual serialization of members.
xVASPRUNXML	deserialize (const aurostd::JSON::object &jo) override
	Performs the actual deserialization of members.
std::string	getJsonID () const override
	Returns the string ID of the class.

Private Member Functions
void	free ()
void	copy (const xVASPRUNXML &b)

Additional Inherited Members
Static Public Member Functions inherited from JsonSerializable< xVASPRUNXML >
static xVASPRUNXML	loadFromJson (const aurostd::JSON::object &jo)
static xVASPRUNXML	loadFromFile (const std::filesystem::path &path)
static xVASPRUNXML	loadFromString (const std::string &content)

Detailed Description

Definition at line 1092 of file aflow.h.

Constructor & Destructor Documentation

xVASPRUNXML() [1/5]

xVASPRUNXML::xVASPRUNXML

(

std::ostream &

oss = std::cout

)

xVASPRUNXML() [2/5]

xVASPRUNXML::xVASPRUNXML	(	std::ofstream &	FileMESSAGE,
		std::ostream &	oss = std::cout )

xVASPRUNXML() [3/5]

xVASPRUNXML::xVASPRUNXML	(	const std::string &	fileIN,
		bool	= true,
		std::ostream &	oss = std::cout )

xVASPRUNXML() [4/5]

xVASPRUNXML::xVASPRUNXML	(	const std::string &	fileIN,
		std::ofstream &	FileMESSAGE,
		bool	= true,
		std::ostream &	oss = std::cout )

xVASPRUNXML() [5/5]

xVASPRUNXML::xVASPRUNXML

(

const xVASPRUNXML &

b

)

~xVASPRUNXML()

xVASPRUNXML::~xVASPRUNXML

(

)

Member Function Documentation

initialize() [1/3]

bool xVASPRUNXML::initialize	(	const std::string &	fileIN,
		std::ostream &	oss,
		bool	= true )

initialize() [2/3]

bool xVASPRUNXML::initialize	(	const std::string &	fileIN,
		std::ofstream &	FileMESSAGE,
		std::ostream &	oss,
		bool	= true )

initialize() [3/3]

bool xVASPRUNXML::initialize	(	const std::string &	fileIN,
		bool	= true )

operator=()

const xVASPRUNXML & xVASPRUNXML::operator=

(

const xVASPRUNXML &

b

)

clear()

void xVASPRUNXML::clear

(

)

GetProperties() [1/2]

bool xVASPRUNXML::GetProperties	(	const std::stringstream &	stringstreamIN,
		bool	= true )

GetProperties() [2/2]

bool xVASPRUNXML::GetProperties	(	const std::string &	stringIN,
		bool	= true )

GetPropertiesFile()

bool xVASPRUNXML::GetPropertiesFile	(	const std::string &	fileIN,
		bool	= true )

GetPropertiesUrlFile()

bool xVASPRUNXML::GetPropertiesUrlFile	(	const std::string &	url,
		const std::string &	file,
		bool	= true )

GetForces() [1/2]

bool xVASPRUNXML::GetForces	(	const std::string &	,
		bool	= true )

GetForcesFile()

bool xVASPRUNXML::GetForcesFile	(	const std::string &	,
		bool	= true )

GetForces() [2/2]

bool xVASPRUNXML::GetForces	(	std::stringstream &	,
		bool	= true )

serialize()

aurostd::JSON::object xVASPRUNXML::serialize ( ) const

nodiscardoverrideprotectedvirtual

Performs the actual serialization of members.

Implements JsonSerializable< xVASPRUNXML >.

deserialize()

xVASPRUNXML xVASPRUNXML::deserialize ( const aurostd::JSON::object & jo )

overrideprotectedvirtual

Performs the actual deserialization of members.

Implements JsonSerializable< xVASPRUNXML >.

getJsonID()

std::string xVASPRUNXML::getJsonID ( ) const

inlinenodiscardoverrideprotectedvirtual

Returns the string ID of the class.

Implements JsonSerializable< xVASPRUNXML >.

Definition at line 1130 of file aflow.h.

free()

void xVASPRUNXML::free ( )

private

copy()

void xVASPRUNXML::copy ( const xVASPRUNXML & b )

private

Member Data Documentation

m_initialized

bool xVASPRUNXML::m_initialized

Definition at line 1107 of file aflow.h.

content

std::string xVASPRUNXML::content

Definition at line 1110 of file aflow.h.

vcontent

std::vector<std::string> xVASPRUNXML::vcontent

Definition at line 1111 of file aflow.h.

filename

std::string xVASPRUNXML::filename

Definition at line 1112 of file aflow.h.

natoms

double xVASPRUNXML::natoms

Definition at line 1113 of file aflow.h.

stress

xmatrix<double> xVASPRUNXML::stress

Definition at line 1114 of file aflow.h.

vkpoint

std::vector<aurostd::xvector<double> > xVASPRUNXML::vkpoint

Definition at line 1115 of file aflow.h.

vweights

std::vector<aurostd::xvector<double> > xVASPRUNXML::vweights

Definition at line 1116 of file aflow.h.

vforces

std::vector<aurostd::xvector<double> > xVASPRUNXML::vforces

Definition at line 1117 of file aflow.h.

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

• /Users/nathan/Projects/AFLOW4/src/aflow.h