OBRingData Class Reference

Used to store the SSSR set (filled in by OBMol::GetSSSR()). More...

#include <openbabel/generic.h>

Inheritance diagram for OBRingData:

Inheritance graph
[legend]

List of all members.

Public Member Functions

 OBRingData ()
 OBRingData (const OBRingData &)
virtual OBGenericDataClone (OBBase *) const
 ~OBRingData ()
OBRingDataoperator= (const OBRingData &)
void SetData (std::vector< OBRing * > &vr)
void PushBack (OBRing *r)
std::vector< OBRing * > & GetData ()
std::vector< OBRing * >::iterator BeginRings ()
std::vector< OBRing * >::iterator EndRings ()
OBRingBeginRing (std::vector< OBRing * >::iterator &i)
OBRingNextRing (std::vector< OBRing * >::iterator &i)
void SetAttribute (const std::string &v)
void SetOrigin (const DataOrigin s)
virtual const std::string & GetAttribute () const
unsigned int GetDataType () const
virtual const std::string & GetValue () const
virtual DataOrigin GetOrigin () const

Protected Attributes

std::vector< OBRing * > _vr
std::string _attr
unsigned int _type
DataOrigin _source


Detailed Description

Used to store the SSSR set (filled in by OBMol::GetSSSR()).

Constructor & Destructor Documentation

OBRingData (  ) 

OBRingData ( const OBRingData src  ) 

OBRingData copy constructor.

Parameters:
src reference to original OBRingData object (rhs)

~OBRingData (  ) 


Member Function Documentation

virtual OBGenericData* Clone ( OBBase  )  const [inline, virtual]

Reimplemented from OBGenericData.

OBRingData & operator= ( const OBRingData src  ) 

OBRingData assignment operator.

Parameters:
src reference to original OBRingData object (rhs)
Returns:
reference to changed OBRingData object (lhs)

void SetData ( std::vector< OBRing * > &  vr  )  [inline]

Referenced by OBMol::FindSSSR().

void PushBack ( OBRing r  )  [inline]

std::vector<OBRing*>& GetData (  )  [inline]

Referenced by OBMol::GetSSSR().

std::vector<OBRing*>::iterator BeginRings (  )  [inline]

std::vector<OBRing*>::iterator EndRings (  )  [inline]

OBRing * BeginRing ( std::vector< OBRing * >::iterator &  i  ) 

OBRing * NextRing ( std::vector< OBRing * >::iterator &  i  ) 

void SetAttribute ( const std::string &  v  )  [inline, inherited]

void SetOrigin ( const DataOrigin  s  )  [inline, inherited]

virtual const std::string& GetAttribute (  )  const [inline, virtual, inherited]

Returns:
The attribute (key), which can be used to retrieve this data

Referenced by OBMoleculeFormat::MakeCombinedMolecule().

unsigned int GetDataType (  )  const [inline, inherited]

Returns:
the data type for this object as defined in OBGenericDataType

virtual const std::string& GetValue (  )  const [inline, virtual, inherited]

Base class returns a default value (the attribute type) but should never be called.

Reimplemented in OBCommentData, and OBPairData.

Referenced by OBDescriptor::FilterCompare(), and OBDescriptor::GetValues().

virtual DataOrigin GetOrigin (  )  const [inline, virtual, inherited]


Member Data Documentation

std::vector<OBRing*> _vr [protected]

std::string _attr [protected, inherited]

attribute tag (e.g., "UnitCell", "Comment" or "Author")

Referenced by OBRotamerList::Clone(), and OBNasaThermoData::OBNasaThermoData().

unsigned int _type [protected, inherited]

attribute type -- declared for each subclass

Referenced by OBRotamerList::Clone(), and OBNasaThermoData::OBNasaThermoData().

DataOrigin _source [protected, inherited]


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