occ::io::CifParser Class Reference

#include <cifparser.h>

Public Member Functions
	CifParser ()
const std::vector< AtomData > &	atom_data () const
const SymmetryData &	symmetry_data () const
const CellData &	cell_data () const
bool	symmetry_valid () const
bool	cell_valid () const
bool	crystal_valid () const
const std::string &	failure_description () const
size_t	num_atoms () const
std::optional< occ::crystal::Crystal >	parse_crystal_from_file (const std::string &)
std::optional< occ::crystal::Crystal >	parse_crystal_from_string (const std::string &)
std::optional< occ::crystal::Crystal >	parse_crystal_from_document (const gemmi::cif::Document &)
	The crystal in the document's first data block.
std::optional< occ::crystal::Crystal >	parse_crystal_from_block (const gemmi::cif::Block &)
	The crystal in one data block.

Static Public Member Functions
static bool	is_likely_cif_filename (const std::string &)

Constructor & Destructor Documentation

CifParser()

occ::io::CifParser::CifParser

(

)

Member Function Documentation

atom_data()

const std::vector< AtomData > & occ::io::CifParser::atom_data ( ) const

inline

cell_data()

const CellData & occ::io::CifParser::cell_data ( ) const

inline

cell_valid()

bool occ::io::CifParser::cell_valid ( ) const

inline

crystal_valid()

bool occ::io::CifParser::crystal_valid ( ) const

inline

failure_description()

const std::string & occ::io::CifParser::failure_description ( ) const

inline

is_likely_cif_filename()

bool occ::io::CifParser::is_likely_cif_filename ( const std::string & )

static

num_atoms()

size_t occ::io::CifParser::num_atoms ( ) const

inline

parse_crystal_from_block()

std::optional< occ::crystal::Crystal > occ::io::CifParser::parse_crystal_from_block

(

const gemmi::cif::Block &

)

The crystal in one data block.

A parser accumulates what it reads, so use a fresh CifParser for each block.

parse_crystal_from_document()

std::optional< occ::crystal::Crystal > occ::io::CifParser::parse_crystal_from_document

(

const gemmi::cif::Document &

)

The crystal in the document's first data block.

parse_crystal_from_file()

std::optional< occ::crystal::Crystal > occ::io::CifParser::parse_crystal_from_file

(

const std::string &

)

parse_crystal_from_string()

std::optional< occ::crystal::Crystal > occ::io::CifParser::parse_crystal_from_string

(

const std::string &

)

symmetry_data()

const SymmetryData & occ::io::CifParser::symmetry_data ( ) const

inline

symmetry_valid()

bool occ::io::CifParser::symmetry_valid ( ) const

inline

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

• /home/runner/work/occ/occ/include/occ/io/cifparser.h