ChainData Struct Reference

#include <omf.hh>

Public Member Functions
	ChainData ()
	ChainData (const ost::mol::ChainHandle &chain, const std::vector< ResidueDefinition > &residue_definitions, const std::unordered_map< unsigned long, int > &res_idx_map, const std::vector< std::pair< unsigned long, unsigned long > > &inter_residue_bonds, const std::vector< int > &inter_residue_bond_orders, std::unordered_map< long, int > &atom_idx_mapper)
void	ToStream (std::ostream &stream, const std::vector< ResidueDefinition > &res_def, Real max_error, bool avg_bfactors, bool round_bfactors, bool skip_ss) const
void	FromStream (std::istream &stream, const std::vector< ResidueDefinition > &res_def, int version, Real max_error, bool avg_bfactors, bool round_bfactors, bool skip_ss)
	ChainData ()
	ChainData (const ost::mol::ChainHandle &chain, const std::vector< ResidueDefinition > &residue_definitions, const std::unordered_map< unsigned long, int > &res_idx_map, const std::vector< std::pair< unsigned long, unsigned long > > &inter_residue_bonds, const std::vector< int > &inter_residue_bond_orders, std::unordered_map< long, int > &atom_idx_mapper)
void	ToStream (std::ostream &stream, const std::vector< ResidueDefinition > &res_def, Real max_error, bool avg_bfactors, bool round_bfactors, bool skip_ss) const
void	FromStream (std::istream &stream, const std::vector< ResidueDefinition > &res_def, int version, Real max_error, bool avg_bfactors, bool round_bfactors, bool skip_ss)

Data Fields
String	ch_name
ost::mol::ChainType	chain_type
std::vector< int >	res_def_indices
std::vector< int >	rnums
std::vector< char >	insertion_codes
std::vector< char >	sec_structures
std::vector< Real >	occupancies
std::vector< Real >	bfactors
geom::Vec3List	positions
std::vector< int >	bonds
std::vector< int >	bond_orders

Detailed Description

Definition at line 122 of file omf.hh.

Constructor & Destructor Documentation

ChainData ( )

inline

Definition at line 124 of file omf.hh.

ChainData	(	const ost::mol::ChainHandle &	chain,
		const std::vector< ResidueDefinition > &	residue_definitions,
		const std::unordered_map< unsigned long, int > &	res_idx_map,
		const std::vector< std::pair< unsigned long, unsigned long > > &	inter_residue_bonds,
		const std::vector< int > &	inter_residue_bond_orders,
		std::unordered_map< long, int > &	atom_idx_mapper
	)

ChainData ( )

inline

Definition at line 124 of file omf.hh.

ChainData	(	const ost::mol::ChainHandle &	chain,
		const std::vector< ResidueDefinition > &	residue_definitions,
		const std::unordered_map< unsigned long, int > &	res_idx_map,
		const std::vector< std::pair< unsigned long, unsigned long > > &	inter_residue_bonds,
		const std::vector< int > &	inter_residue_bond_orders,
		std::unordered_map< long, int > &	atom_idx_mapper
	)

Member Function Documentation

void FromStream	(	std::istream &	stream,
		const std::vector< ResidueDefinition > &	res_def,
		int	version,
		Real	max_error,
		bool	avg_bfactors,
		bool	round_bfactors,
		bool	skip_ss
	)

void FromStream	(	std::istream &	stream,
		const std::vector< ResidueDefinition > &	res_def,
		int	version,
		Real	max_error,
		bool	avg_bfactors,
		bool	round_bfactors,
		bool	skip_ss
	)

void ToStream	(	std::ostream &	stream,
		const std::vector< ResidueDefinition > &	res_def,
		Real	max_error,
		bool	avg_bfactors,
		bool	round_bfactors,
		bool	skip_ss
	)		const

void ToStream	(	std::ostream &	stream,
		const std::vector< ResidueDefinition > &	res_def,
		Real	max_error,
		bool	avg_bfactors,
		bool	round_bfactors,
		bool	skip_ss
	)		const

Field Documentation

std::vector< Real > bfactors

Definition at line 156 of file omf.hh.

std::vector< int > bond_orders

Definition at line 162 of file omf.hh.

std::vector< int > bonds

Definition at line 161 of file omf.hh.

String ch_name

Definition at line 145 of file omf.hh.

ost::mol::ChainType chain_type

Definition at line 146 of file omf.hh.

std::vector< char > insertion_codes

Definition at line 151 of file omf.hh.

std::vector< Real > occupancies

Definition at line 155 of file omf.hh.

geom::Vec3List positions

Definition at line 157 of file omf.hh.

std::vector< int > res_def_indices

Definition at line 149 of file omf.hh.

std::vector< int > rnums

Definition at line 150 of file omf.hh.

std::vector< char > sec_structures

Definition at line 152 of file omf.hh.

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

• build-2.7-doc/stage/include/ost/io/mol/omf.hh
• build-2.7-doc/stage/include/ost/io/omf.hh