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Public Member Functions | Static Public Member Functions | Data Fields
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 34 of file mmcif_writer.hh.

Constructor & Destructor Documentation

MMCifWriterEntity ( )
inline

Definition at line 36 of file mmcif_writer.hh.

MMCifWriterEntity ( )
inline

Definition at line 36 of file mmcif_writer.hh.

Member Function Documentation

void AddHet ( int  rnum,
const String &  mon_id 
)
inline

Definition at line 44 of file mmcif_writer.hh.

void AddHet ( int  rnum,
const String &  mon_id 
)
inline

Definition at line 44 of file mmcif_writer.hh.

static MMCifWriterEntity FromPolymer ( const String &  entity_poly_type,
const std::vector< String > &  mon_ids,
conop::CompoundLibPtr  compound_lib 
)
static
static MMCifWriterEntity FromPolymer ( const String &  entity_poly_type,
const std::vector< String > &  mon_ids,
conop::CompoundLibPtr  compound_lib 
)
static
int GetAsymIdx ( const String &  asym_id) const
int GetAsymIdx ( const String &  asym_id) const
bool operator!= ( const MMCifWriterEntity &  rhs) const
inline

Definition at line 60 of file mmcif_writer.hh.

bool operator!= ( const MMCifWriterEntity &  rhs) const
inline

Definition at line 60 of file mmcif_writer.hh.

bool operator== ( const MMCifWriterEntity &  rhs) const
inline

Definition at line 48 of file mmcif_writer.hh.

bool operator== ( const MMCifWriterEntity &  rhs) const
inline

Definition at line 48 of file mmcif_writer.hh.

Field Documentation

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

Definition at line 95 of file mmcif_writer.hh.

std::vector< String > asym_ids

Definition at line 74 of file mmcif_writer.hh.

String branch_type

Definition at line 71 of file mmcif_writer.hh.

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

Definition at line 98 of file mmcif_writer.hh.

bool is_poly

Definition at line 77 of file mmcif_writer.hh.

std::vector< String > mon_ids

Definition at line 81 of file mmcif_writer.hh.

String poly_type

Definition at line 68 of file mmcif_writer.hh.

std::vector< String > seq_can_olcs

Definition at line 89 of file mmcif_writer.hh.

std::vector< String > seq_olcs

Definition at line 85 of file mmcif_writer.hh.

String type

Definition at line 65 of file mmcif_writer.hh.

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