OBRingData Class Reference

#include <openbabel/generic.h>

Inheritance diagram for OBRingData:

Public Member Functions
	OBRingData ()
	OBRingData (const OBRingData &)
virtual OBGenericData *	Clone (OBBase *) const
	~OBRingData ()
OBRingData &	operator= (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 ()
OBRing *	BeginRing (std::vector< OBRing *>::iterator &i)
OBRing *	NextRing (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() [1/2]

OBRingData

(

)

OBRingData() [2/2]

OBRingData

(

const OBRingData &

src

)

OBRingData copy constructor.

Parameters

src	reference to original OBRingData object (rhs)

~OBRingData()

~OBRingData

(

)

Member Function Documentation

Clone()

virtual OBGenericData* Clone ( OBBase *  ) const

inlinevirtual

Reimplemented from OBGenericData.

operator=()

OBRingData & operator=

(

const OBRingData &

src

)

OBRingData assignment operator.

Parameters

src	reference to original OBRingData object (rhs)

Returns

reference to changed OBRingData object (lhs)

SetData()

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

inline

Referenced by OBMol::FindLSSR(), and OBMol::FindSSSR().

PushBack()

void PushBack ( OBRing *  r )

inline

GetData()

std::vector<OBRing*>& GetData ( )

inline

Referenced by OBMol::GetLSSR(), and OBMol::GetSSSR().

BeginRings()

std::vector<OBRing*>::iterator BeginRings ( )

inline

EndRings()

std::vector<OBRing*>::iterator EndRings ( )

inline

BeginRing()

OBRing * BeginRing

(

std::vector< OBRing *>::iterator &

i

)

Referenced by OBMolRingIter::OBMolRingIter().

NextRing()

OBRing * NextRing

(

std::vector< OBRing *>::iterator &

i

)

Referenced by OBMolRingIter::operator++().

SetAttribute()

void SetAttribute ( const std::string &  v )

inlineinherited

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

Referenced by OBGastChrg::AssignPartialCharges(), OpenBabel::ComparePairSecond(), OBMol::DoTransformations(), OBMol::FindLSSR(), OBMol::FindSSSR(), OBForceField::GetAtomTypes(), OBMol::GetFormula(), OBMol::GetLSSR(), OBForceField::GetPartialCharges(), OBMol::GetSSSR(), OBDescriptor::PredictAndSave(), and OBMol::SetFormula().

SetOrigin()

void SetOrigin ( const DataOrigin  s )

inlineinherited

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

Referenced by OBGastChrg::AssignPartialCharges(), OpenBabel::ComparePairSecond(), OBMol::DoTransformations(), OBMol::FindAngles(), OBMol::FindLSSR(), OBMol::FindSSSR(), OBMol::FindTorsions(), OBMol::GetFormula(), OBMol::GetLSSR(), OBMol::GetSSSR(), OBDescriptor::PredictAndSave(), and OBMol::SetFormula().

GetAttribute()

virtual const std::string& GetAttribute ( ) const

inlinevirtualinherited

Returns

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

Referenced by OpenBabel::extract_thermochemistry(), and OBMoleculeFormat::MakeCombinedMolecule().

GetDataType()

unsigned int GetDataType ( ) const

inlineinherited

Returns

the data type for this object as defined in OBGenericDataType

GetValue()

virtual const std::string& GetValue ( ) const

inlinevirtualinherited

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

Reimplemented in OBPairData, and OBCommentData.

Referenced by OBDepict::AddAtomLabels(), OBDepict::DrawMolecule(), OBDescriptor::FilterCompare(), and OBDescriptor::GetValues().

GetOrigin()

virtual DataOrigin GetOrigin ( ) const

inlinevirtualinherited

Member Data Documentation

_vr

std::vector<OBRing*> _vr

protected

Referenced by OBRingData::BeginRing(), OBRingData::NextRing(), OBRingData::OBRingData(), OBRingData::operator=(), and OBRingData::~OBRingData().

_attr

std::string _attr

protectedinherited

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

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

_type

unsigned int _type

protectedinherited

attribute type – declared for each subclass

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

_source

DataOrigin _source

protectedinherited

source of data for accounting

Referenced by OBConformerData::operator=(), OBSymmetryData::operator=(), OBTorsionData::operator=(), and OBAngleData::operator=().

---

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

• generic.h
• generic.cpp