OpenBabel::OBVirtualBond

OBVirtualBond Class Reference

Used to temporarily store bonds that reference an atom that has not yet been added to a molecule. More...

#include <openbabel/generic.h>

Inheritance diagram for OBVirtualBond:

Inheritance graph
[legend]
List of all members.

Public Member Functions

 OBVirtualBond ()
virtual OBGenericData * Clone (OBBase *) const
 OBVirtualBond (int, int, int, int stereo=0)
int GetBgn ()
int GetEnd ()
int GetOrder ()
int GetStereo ()
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

int _bgn
int _end
int _ord
int _stereo
std::string _attr
unsigned int _type
DataOrigin _source

Detailed Description

Used to temporarily store bonds that reference an atom that has not yet been added to a molecule.

Constructor & Destructor Documentation

OBVirtualBond (  ) 

OBVirtualBond ( int  ,
int  ,
int  ,
int  stereo = 0 
)

Member Function Documentation

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

Reimplemented from OBGenericData.

int GetBgn (  )  [inline]

int GetEnd (  )  [inline]

int GetOrder (  )  [inline]

int GetStereo (  )  [inline]

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

Set the attribute (key), which can be used to retrieve this data.

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

Set the origin of this data, which can be used to filter the data.

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

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

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, OBPairData, and OBPairTemplate.

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

Member Data Documentation

int _bgn [protected]

int _end [protected]

int _ord [protected]

int _stereo [protected]

std::string _attr [protected, inherited]

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

unsigned int _type [protected, inherited]

attribute type -- declared for each subclass

DataOrigin _source [protected, inherited]

source of data for accounting

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