gemmi::Chain Struct Reference

#include <model.hpp>

Public Types
using	child_type = Residue

Public Member Functions
	Chain ()=default
	Chain (const std::string &name_) noexcept
ResidueSpan	whole ()
ConstResidueSpan	whole () const
template<typename F >
ResidueSpan	get_residue_span (F &&func)
template<typename F >
ConstResidueSpan	get_residue_span (F &&func) const
ResidueSpan	get_polymer ()
ConstResidueSpan	get_polymer () const
ResidueSpan	get_ligands ()
ConstResidueSpan	get_ligands () const
ResidueSpan	get_waters ()
ConstResidueSpan	get_waters () const
ResidueSpan	get_subchain (const std::string &s)
ConstResidueSpan	get_subchain (const std::string &s) const
std::vector< ResidueSpan >	subchains ()
std::vector< ConstResidueSpan >	subchains () const
ResidueGroup	find_residue_group (SeqId id)
ConstResidueGroup	find_residue_group (SeqId id) const
Residue *	find_residue (const ResidueId &rid)
const Residue *	find_residue (const ResidueId &rid) const
Residue *	find_or_add_residue (const ResidueId &rid)
void	append_residues (std::vector< Residue > new_resi, int min_sep=0)
Chain	empty_copy () const
std::vector< Residue > &	children ()
const std::vector< Residue > &	children () const
bool	is_first_in_group (const Residue &res) const
const Residue *	previous_residue (const Residue &res) const
const Residue *	next_residue (const Residue &res) const
UniqProxy< Residue >	first_conformer ()
ConstUniqProxy< Residue >	first_conformer () const

Static Public Member Functions
static const char *	what ()

Public Attributes
std::string	name
std::vector< Residue >	residues

Detailed Description

Definition at line 483 of file model.hpp.

Member Typedef Documentation

child_type

using gemmi::Chain::child_type = Residue

Definition at line 571 of file model.hpp.

Constructor & Destructor Documentation

Chain() [1/2]

gemmi::Chain::Chain ( )

default

Chain() [2/2]

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

inlineexplicitnoexcept

Definition at line 489 of file model.hpp.

Member Function Documentation

what()

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

inlinestatic

Definition at line 484 of file model.hpp.

whole() [1/2]

ResidueSpan gemmi::Chain::whole ( )

inline

Definition at line 491 of file model.hpp.

whole() [2/2]

ConstResidueSpan gemmi::Chain::whole ( ) const

inline

Definition at line 495 of file model.hpp.

get_residue_span() [1/2]

template<typename F >

ResidueSpan gemmi::Chain::get_residue_span ( F &&  func )

inline

Definition at line 500 of file model.hpp.

get_residue_span() [2/2]

template<typename F >

ConstResidueSpan gemmi::Chain::get_residue_span ( F &&  func ) const

inline

Definition at line 503 of file model.hpp.

get_polymer() [1/2]

ResidueSpan gemmi::Chain::get_polymer ( )

inline

Definition at line 507 of file model.hpp.

get_polymer() [2/2]

ConstResidueSpan gemmi::Chain::get_polymer ( ) const

inline

Definition at line 517 of file model.hpp.

get_ligands() [1/2]

ResidueSpan gemmi::Chain::get_ligands ( )

inline

Definition at line 521 of file model.hpp.

get_ligands() [2/2]

ConstResidueSpan gemmi::Chain::get_ligands ( ) const

inline

Definition at line 527 of file model.hpp.

get_waters() [1/2]

ResidueSpan gemmi::Chain::get_waters ( )

inline

Definition at line 531 of file model.hpp.

get_waters() [2/2]

ConstResidueSpan gemmi::Chain::get_waters ( ) const

inline

Definition at line 536 of file model.hpp.

get_subchain() [1/2]

ResidueSpan gemmi::Chain::get_subchain ( const std::string &  s )

inline

Definition at line 540 of file model.hpp.

get_subchain() [2/2]

ConstResidueSpan gemmi::Chain::get_subchain ( const std::string &  s ) const

inline

Definition at line 543 of file model.hpp.

subchains() [1/2]

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

inline

Definition at line 547 of file model.hpp.

subchains() [2/2]

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

inline

Definition at line 550 of file model.hpp.

find_residue_group() [1/2]

ResidueGroup gemmi::Chain::find_residue_group ( SeqId  id )

inline

Definition at line 554 of file model.hpp.

find_residue_group() [2/2]

ConstResidueGroup gemmi::Chain::find_residue_group ( SeqId  id ) const

inline

Definition at line 557 of file model.hpp.

find_residue() [1/2]

Residue * gemmi::Chain::find_residue ( const ResidueId &  rid )

inline

Definition at line 1059 of file model.hpp.

find_residue() [2/2]

const Residue * gemmi::Chain::find_residue ( const ResidueId &  rid ) const

inline

Definition at line 562 of file model.hpp.

find_or_add_residue()

Residue * gemmi::Chain::find_or_add_residue ( const ResidueId &  rid )

inline

Definition at line 1065 of file model.hpp.

append_residues()

void gemmi::Chain::append_residues ( std::vector< Residue >  new_resi, int  min_sep = 0  )

inline

Definition at line 1073 of file model.hpp.

empty_copy()

Chain gemmi::Chain::empty_copy ( ) const

inline

Definition at line 570 of file model.hpp.

children() [1/2]

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

inline

Definition at line 572 of file model.hpp.

children() [2/2]

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

inline

Definition at line 573 of file model.hpp.

is_first_in_group()

bool gemmi::Chain::is_first_in_group ( const Residue &  res ) const

inline

Definition at line 576 of file model.hpp.

previous_residue()

const Residue * gemmi::Chain::previous_residue ( const Residue &  res ) const

inline

Definition at line 582 of file model.hpp.

next_residue()

const Residue * gemmi::Chain::next_residue ( const Residue &  res ) const

inline

Definition at line 595 of file model.hpp.

first_conformer() [1/2]

UniqProxy< Residue > gemmi::Chain::first_conformer ( )

inline

Definition at line 609 of file model.hpp.

first_conformer() [2/2]

ConstUniqProxy< Residue > gemmi::Chain::first_conformer ( ) const

inline

Definition at line 610 of file model.hpp.

Member Data Documentation

name

std::string gemmi::Chain::name

Definition at line 485 of file model.hpp.

residues

std::vector<Residue> gemmi::Chain::residues

Definition at line 486 of file model.hpp.

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

• include/gemmi/model.hpp