OpenStructure
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() [1/2]

MMCifWriterEntity ( )
inline

Definition at line 36 of file mmcif_writer.hh.

◆ MMCifWriterEntity() [2/2]

MMCifWriterEntity ( )
inline

Definition at line 36 of file mmcif_writer.hh.

Member Function Documentation

◆ AddHet() [1/2]

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

Definition at line 44 of file mmcif_writer.hh.

◆ AddHet() [2/2]

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

Definition at line 44 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 60 of file mmcif_writer.hh.

◆ operator!=() [2/2]

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

Definition at line 60 of file mmcif_writer.hh.

◆ operator==() [1/2]

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

Definition at line 48 of file mmcif_writer.hh.

◆ operator==() [2/2]

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

Definition at line 48 of file mmcif_writer.hh.

Field Documentation

◆ asym_alns

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

Definition at line 95 of file mmcif_writer.hh.

◆ asym_ids

std::vector< String > asym_ids

Definition at line 74 of file mmcif_writer.hh.

◆ branch_type

String branch_type

Definition at line 71 of file mmcif_writer.hh.

◆ het

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

Definition at line 98 of file mmcif_writer.hh.

◆ is_poly

bool is_poly

Definition at line 77 of file mmcif_writer.hh.

◆ mon_ids

std::vector< String > mon_ids

Definition at line 81 of file mmcif_writer.hh.

◆ poly_type

String poly_type

Definition at line 68 of file mmcif_writer.hh.

◆ seq_can_olcs

std::vector< String > seq_can_olcs

Definition at line 89 of file mmcif_writer.hh.

◆ seq_olcs

std::vector< String > seq_olcs

Definition at line 85 of file mmcif_writer.hh.

◆ type

String type

Definition at line 65 of file mmcif_writer.hh.

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