#include <model.hpp>

Public Types
using	child_type = Chain

Public Member Functions
	Model ()=default

	Model (const std::string &name_) noexcept

Chain *	find_chain (const std::string &chain_name)

const Chain *	find_chain (const std::string &chain_name) const

Chain *	find_last_chain (const std::string &chain_name)

void	remove_chain (const std::string &chain_name)

void	merge_chain_parts (int min_sep=0)

ResidueSpan	get_subchain (const std::string &sub_name)

ConstResidueSpan	get_subchain (const std::string &sub_name) const

std::vector< ResidueSpan >	subchains ()

std::vector< ConstResidueSpan >	subchains () const

std::map< std::string, std::string >	subchain_to_chain () const

Residue *	find_residue (const std::string &chain_name, const ResidueId &rid)

const Residue *	find_residue (const std::string &chain_name, const ResidueId &rid) const

ResidueGroup	find_residue_group (const std::string &chain_name, SeqId seqid)

Residue &	sole_residue (const std::string &chain_name, SeqId seqid)

std::vector< std::string >	get_all_residue_names () const

CRA	find_cra (const AtomAddress &address, bool ignore_segment=false)

const_CRA	find_cra (const AtomAddress &address, bool ignore_segment=false) const

CraProxy	all ()

ConstCraProxy	all () const

Atom *	find_atom (const AtomAddress &address)

const Atom *	find_atom (const AtomAddress &address) const

std::array< int, 3 >	get_indices (const Chain c, const Residue r, const Atom *a) const

std::bitset<(size_t) El::END >	present_elements () const

CRA	get_cra (Atom *atom)

Chain *	get_parent_of (Residue *res)

Model	empty_copy () const

std::vector< Chain > &	children ()

const std::vector< Chain > &	children () const

Static Public Member Functions
static const char *	what ()

Public Attributes
std::string	name

std::vector< Chain >	chains

Detailed Description

Definition at line 703 of file model.hpp.

Member Typedef Documentation

◆ child_type

using gemmi::Model::child_type = Chain

Definition at line 852 of file model.hpp.

Constructor & Destructor Documentation

◆ Model() [1/2]

gemmi::Model::Model ( )

default

◆ Model() [2/2]

gemmi::Model::Model ( const std::string & name_ )

inlineexplicitnoexcept

Definition at line 708 of file model.hpp.

Member Function Documentation

◆ what()

static const char * gemmi::Model::what ( )

inlinestatic

Definition at line 704 of file model.hpp.

◆ find_chain() [1/2]

Chain * gemmi::Model::find_chain ( const std::string & chain_name )

inline

Definition at line 711 of file model.hpp.

◆ find_chain() [2/2]

const Chain * gemmi::Model::find_chain ( const std::string & chain_name ) const

inline

Definition at line 714 of file model.hpp.

◆ find_last_chain()

Chain * gemmi::Model::find_last_chain ( const std::string & chain_name )

inline

Definition at line 719 of file model.hpp.

◆ remove_chain()

void gemmi::Model::remove_chain ( const std::string & chain_name )

inline

Definition at line 726 of file model.hpp.

◆ merge_chain_parts()

void gemmi::Model::merge_chain_parts ( int min_sep = 0 )

inline

Definition at line 731 of file model.hpp.

◆ get_subchain() [1/2]

ResidueSpan gemmi::Model::get_subchain ( const std::string & sub_name )

inline

Definition at line 740 of file model.hpp.

◆ get_subchain() [2/2]

ConstResidueSpan gemmi::Model::get_subchain ( const std::string & sub_name ) const

inline

Definition at line 746 of file model.hpp.

◆ subchains() [1/2]

std::vector< ResidueSpan > gemmi::Model::subchains ( )

inline

Definition at line 750 of file model.hpp.

◆ subchains() [2/2]

std::vector< ConstResidueSpan > gemmi::Model::subchains ( ) const

inline

Definition at line 753 of file model.hpp.

◆ subchain_to_chain()

std::map< std::string, std::string > gemmi::Model::subchain_to_chain ( ) const

inline

Definition at line 757 of file model.hpp.

◆ find_residue() [1/2]

Residue * gemmi::Model::find_residue	(	const std::string &	chain_name,
		const ResidueId &	rid
	)

inline

Definition at line 770 of file model.hpp.

◆ find_residue() [2/2]

const Residue * gemmi::Model::find_residue	(	const std::string &	chain_name,
		const ResidueId &	rid
	)		const

inline

Definition at line 777 of file model.hpp.

◆ find_residue_group()

ResidueGroup gemmi::Model::find_residue_group	(	const std::string &	chain_name,
		SeqId	seqid
	)

inline

Definition at line 782 of file model.hpp.

◆ sole_residue()

Residue & gemmi::Model::sole_residue	(	const std::string &	chain_name,
		SeqId	seqid
	)

inline

Definition at line 790 of file model.hpp.

◆ get_all_residue_names()

std::vector< std::string > gemmi::Model::get_all_residue_names ( ) const

inline

Definition at line 797 of file model.hpp.

◆ find_cra() [1/2]

CRA gemmi::Model::find_cra	(	const AtomAddress &	address,
		bool	ignore_segment = `false`
	)

inline

Definition at line 806 of file model.hpp.

◆ find_cra() [2/2]

const_CRA gemmi::Model::find_cra	(	const AtomAddress &	address,
		bool	ignore_segment = `false`
	)		const

inline

Definition at line 821 of file model.hpp.

◆ all() [1/2]

CraProxy gemmi::Model::all ( )

inline

Definition at line 825 of file model.hpp.

◆ all() [2/2]

ConstCraProxy gemmi::Model::all ( ) const

inline

Definition at line 826 of file model.hpp.

◆ find_atom() [1/2]

Atom * gemmi::Model::find_atom ( const AtomAddress & address )

inline

Definition at line 828 of file model.hpp.

◆ find_atom() [2/2]

const Atom * gemmi::Model::find_atom ( const AtomAddress & address ) const

inline

Definition at line 829 of file model.hpp.

◆ get_indices()

std::array< int, 3 > gemmi::Model::get_indices	(	const Chain *	c,
		const Residue *	r,
		const Atom *	a
	)		const

inline

Definition at line 831 of file model.hpp.

◆ present_elements()

std::bitset<(size_t) El::END > gemmi::Model::present_elements ( ) const

inline

Definition at line 838 of file model.hpp.

◆ get_cra()

CRA gemmi::Model::get_cra ( Atom * atom )

inline

Definition at line 847 of file model.hpp.

◆ get_parent_of()

Chain * gemmi::Model::get_parent_of ( Residue * res )

inline

Definition at line 848 of file model.hpp.

◆ empty_copy()

Model gemmi::Model::empty_copy ( ) const

inline

Definition at line 851 of file model.hpp.

◆ children() [1/2]

std::vector< Chain > & gemmi::Model::children ( )

inline

Definition at line 853 of file model.hpp.

◆ children() [2/2]

const std::vector< Chain > & gemmi::Model::children ( ) const

inline

Definition at line 854 of file model.hpp.

Member Data Documentation

◆ name

std::string gemmi::Model::name

Definition at line 705 of file model.hpp.

◆ chains

std::vector<Chain> gemmi::Model::chains

Definition at line 706 of file model.hpp.

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

/home/wojdyr/gemmi/gemmi/include/gemmi/model.hpp

Public Types

Public Member Functions

Static Public Member Functions

Public Attributes

Detailed Description

Member Typedef Documentation

◆ child_type

Constructor & Destructor Documentation

◆ Model() [1/2]

◆ Model() [2/2]

Member Function Documentation

◆ what()

◆ find_chain() [1/2]

◆ find_chain() [2/2]

◆ find_last_chain()

◆ remove_chain()

◆ merge_chain_parts()

◆ get_subchain() [1/2]

◆ get_subchain() [2/2]

◆ subchains() [1/2]

◆ subchains() [2/2]

◆ subchain_to_chain()

◆ find_residue() [1/2]

◆ find_residue() [2/2]

◆ find_residue_group()

◆ sole_residue()

◆ get_all_residue_names()

◆ find_cra() [1/2]

◆ find_cra() [2/2]

◆ all() [1/2]

◆ all() [2/2]

◆ find_atom() [1/2]

◆ find_atom() [2/2]

◆ get_indices()

◆ present_elements()

◆ get_cra()

◆ get_parent_of()

◆ empty_copy()

◆ children() [1/2]

◆ children() [2/2]

Member Data Documentation

◆ name

◆ chains