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:
OBGenericData

List of all members.

Public Member Functions

 OBVirtualBond ()
virtual OBGenericDataClone (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 ( int  bgn,
int  end,
int  ord,
int  stereo = 0 
)

Member Function Documentation

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

Reimplemented from OBGenericData.

int GetBgn (  ) [inline]

Referenced by OBMol::AddAtom(), and OBMol::NewAtom().

int GetEnd (  ) [inline]

Referenced by OBMol::AddAtom(), and OBMol::NewAtom().

int GetOrder (  ) [inline]

Referenced by OBMol::AddAtom(), and OBMol::NewAtom().

int GetStereo (  ) [inline]
void SetAttribute ( const std::string &  v ) [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 OBDepict::DrawMolecule(), OBDescriptor::FilterCompare(), and OBDescriptor::GetValues().

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")

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().


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