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xKPOINTS Class Reference

#include <aflow.h>

Inheritance diagram for xKPOINTS:
JsonSerializable< xKPOINTS >

Public Member Functions

 xKPOINTS (std::ostream &oss=std::cout)
 
 xKPOINTS (std::ofstream &FileMESSAGE, std::ostream &oss=std::cout)
 
 xKPOINTS (const std::string &fileIN, bool=true, std::ostream &oss=std::cout)
 
 xKPOINTS (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)
 
 xKPOINTS (const xKPOINTS &b)
 
 ~xKPOINTS ()
 
const xKPOINTSoperator= (const xKPOINTS &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)
 
std::string createStandardTitlePath (const xstructure &)
 
- Public Member Functions inherited from JsonSerializable< xKPOINTS >
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
 
std::string title
 
int mode
 
std::string grid_type
 
bool is_KPOINTS_NNN
 
bool is_KPOINTS_PATH
 
xvector< int > nnn_kpoints
 
xvector< double > ooo_kpoints
 
int nkpoints
 
std::string path_mode
 
std::string path
 
std::vector< std::string > vpath
 
int path_grid
 
std::vector< xvector< double > > vkpoints
 

Protected Member Functions

aurostd::JSON::object serialize () const override
 Performs the actual serialization of members.
 
xKPOINTS 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 xKPOINTS &b)
 

Friends

std::ostream & operator<< (std::ostream &, const xKPOINTS &)
 

Additional Inherited Members

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

Detailed Description

Definition at line 1187 of file aflow.h.

Constructor & Destructor Documentation

◆ xKPOINTS() [1/5]

xKPOINTS::xKPOINTS ( std::ostream & oss = std::cout)

◆ xKPOINTS() [2/5]

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

◆ xKPOINTS() [3/5]

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

◆ xKPOINTS() [4/5]

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

◆ xKPOINTS() [5/5]

xKPOINTS::xKPOINTS ( const xKPOINTS & b)

◆ ~xKPOINTS()

xKPOINTS::~xKPOINTS ( )

Member Function Documentation

◆ initialize() [1/3]

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

◆ initialize() [2/3]

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

◆ initialize() [3/3]

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

◆ operator=()

const xKPOINTS & xKPOINTS::operator= ( const xKPOINTS & b)

◆ clear()

void xKPOINTS::clear ( )

◆ GetProperties() [1/2]

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

◆ GetProperties() [2/2]

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

◆ GetPropertiesFile()

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

◆ GetPropertiesUrlFile()

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

◆ createStandardTitlePath()

std::string xKPOINTS::createStandardTitlePath ( const xstructure & )

◆ serialize()

aurostd::JSON::object xKPOINTS::serialize ( ) const
nodiscardoverrideprotectedvirtual

Performs the actual serialization of members.

Implements JsonSerializable< xKPOINTS >.

◆ deserialize()

xKPOINTS xKPOINTS::deserialize ( const aurostd::JSON::object & jo)
overrideprotectedvirtual

Performs the actual deserialization of members.

Implements JsonSerializable< xKPOINTS >.

◆ getJsonID()

std::string xKPOINTS::getJsonID ( ) const
inlinenodiscardoverrideprotectedvirtual

Returns the string ID of the class.

Implements JsonSerializable< xKPOINTS >.

Definition at line 1231 of file aflow.h.

◆ free()

void xKPOINTS::free ( )
private

◆ copy()

void xKPOINTS::copy ( const xKPOINTS & b)
private

Friends And Related Symbol Documentation

◆ operator<<

std::ostream & operator<< ( std::ostream & ,
const xKPOINTS &  )
friend

Member Data Documentation

◆ m_initialized

bool xKPOINTS::m_initialized

Definition at line 1202 of file aflow.h.

◆ content

std::string xKPOINTS::content

Definition at line 1205 of file aflow.h.

◆ vcontent

std::vector<std::string> xKPOINTS::vcontent

Definition at line 1206 of file aflow.h.

◆ filename

std::string xKPOINTS::filename

Definition at line 1207 of file aflow.h.

◆ title

std::string xKPOINTS::title

Definition at line 1208 of file aflow.h.

◆ mode

int xKPOINTS::mode

Definition at line 1209 of file aflow.h.

◆ grid_type

std::string xKPOINTS::grid_type

Definition at line 1210 of file aflow.h.

◆ is_KPOINTS_NNN

bool xKPOINTS::is_KPOINTS_NNN

Definition at line 1211 of file aflow.h.

◆ is_KPOINTS_PATH

bool xKPOINTS::is_KPOINTS_PATH

Definition at line 1211 of file aflow.h.

◆ nnn_kpoints

xvector<int> xKPOINTS::nnn_kpoints

Definition at line 1212 of file aflow.h.

◆ ooo_kpoints

xvector<double> xKPOINTS::ooo_kpoints

Definition at line 1213 of file aflow.h.

◆ nkpoints

int xKPOINTS::nkpoints

Definition at line 1214 of file aflow.h.

◆ path_mode

std::string xKPOINTS::path_mode

Definition at line 1215 of file aflow.h.

◆ path

std::string xKPOINTS::path

Definition at line 1215 of file aflow.h.

◆ vpath

std::vector<std::string> xKPOINTS::vpath

Definition at line 1216 of file aflow.h.

◆ path_grid

int xKPOINTS::path_grid

Definition at line 1217 of file aflow.h.

◆ vkpoints

std::vector<xvector<double> > xKPOINTS::vkpoints

Definition at line 1218 of file aflow.h.


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