MMCifWriterEntity Struct Reference

#include <mmcif_writer.hh>

Public Member Functions
	MMCifWriterEntity ()
int	GetAsymIdx (const String &asym_id) const
void	AddHet (int rnum, const String &mon_id)
bool	operator== (const MMCifWriterEntity &rhs) const
bool	operator!= (const MMCifWriterEntity &rhs) const
	MMCifWriterEntity ()
int	GetAsymIdx (const String &asym_id) const
void	AddHet (int rnum, const String &mon_id)
bool	operator== (const MMCifWriterEntity &rhs) const
bool	operator!= (const MMCifWriterEntity &rhs) const

Static Public Member Functions
static MMCifWriterEntity	FromPolymer (const String &entity_poly_type, const std::vector< String > &mon_ids, conop::CompoundLibPtr compound_lib)
static MMCifWriterEntity	FromPolymer (const String &entity_poly_type, const std::vector< String > &mon_ids, conop::CompoundLibPtr compound_lib)

Data Fields
String	type
String	poly_type
String	branch_type
std::vector< String >	asym_ids
bool	is_poly
std::vector< String >	mon_ids
std::vector< String >	seq_olcs
std::vector< String >	seq_can_olcs
std::map< String, std::vector< String > >	asym_alns
std::map< int, std::vector< String > >	het

Detailed Description

Definition at line 47 of file mmcif_writer.hh.

Constructor & Destructor Documentation

MMCifWriterEntity() [1/2]

MMCifWriterEntity ( )

inline

Definition at line 49 of file mmcif_writer.hh.

MMCifWriterEntity() [2/2]

MMCifWriterEntity ( )

inline

Definition at line 49 of file mmcif_writer.hh.

Member Function Documentation

AddHet() [1/2]

void AddHet ( int  rnum, const String &  mon_id  )

inline

Definition at line 57 of file mmcif_writer.hh.

AddHet() [2/2]

void AddHet ( int  rnum, const String &  mon_id  )

inline

Definition at line 57 of file mmcif_writer.hh.

FromPolymer() [1/2]

static MMCifWriterEntity FromPolymer ( const String &  entity_poly_type, const std::vector< String > &  mon_ids, conop::CompoundLibPtr  compound_lib  )

static

FromPolymer() [2/2]

static MMCifWriterEntity FromPolymer ( const String &  entity_poly_type, const std::vector< String > &  mon_ids, conop::CompoundLibPtr  compound_lib  )

static

GetAsymIdx() [1/2]

int GetAsymIdx

(

const String &

asym_id

)

const

GetAsymIdx() [2/2]

int GetAsymIdx

(

const String &

asym_id

)

const

operator!=() [1/2]

bool operator!= ( const MMCifWriterEntity &  rhs ) const

inline

Definition at line 73 of file mmcif_writer.hh.

operator!=() [2/2]

bool operator!= ( const MMCifWriterEntity &  rhs ) const

inline

Definition at line 73 of file mmcif_writer.hh.

operator==() [1/2]

bool operator== ( const MMCifWriterEntity &  rhs ) const

inline

Definition at line 61 of file mmcif_writer.hh.

operator==() [2/2]

bool operator== ( const MMCifWriterEntity &  rhs ) const

inline

Definition at line 61 of file mmcif_writer.hh.

Field Documentation

asym_alns

std::map< String, std::vector< String > > asym_alns

Definition at line 108 of file mmcif_writer.hh.

asym_ids

std::vector< String > asym_ids

Definition at line 87 of file mmcif_writer.hh.

branch_type

String branch_type

Definition at line 84 of file mmcif_writer.hh.

het

std::map< int, std::vector< String > > het

Definition at line 111 of file mmcif_writer.hh.

is_poly

bool is_poly

Definition at line 90 of file mmcif_writer.hh.

mon_ids

std::vector< String > mon_ids

Definition at line 94 of file mmcif_writer.hh.

poly_type

String poly_type

Definition at line 81 of file mmcif_writer.hh.

seq_can_olcs

std::vector< String > seq_can_olcs

Definition at line 102 of file mmcif_writer.hh.

seq_olcs

std::vector< String > seq_olcs

Definition at line 98 of file mmcif_writer.hh.

type

String type

Definition at line 78 of file mmcif_writer.hh.

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

• build-dev/stage/include/ost/io/mmcif_writer.hh
• build-dev/stage/include/ost/io/mol/mmcif_writer.hh