OBSetData Class Reference

#include <openbabel/generic.h>

Inheritance diagram for OBSetData:

Public Member Functions
	OBSetData ()
virtual OBGenericData *	Clone (OBBase *) const
void	AddData (OBGenericData *d)
void	SetData (std::vector< OBGenericData *> &vdata)
OBGenericData *	GetData (const char *s)
OBGenericData *	GetData (const std::string &s)
virtual const std::vector< OBGenericData * > &	GetData () const
std::vector< OBGenericData * >::iterator	GetBegin ()
std::vector< OBGenericData * >::iterator	GetEnd ()
void	DeleteData (OBGenericData *gd)
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< OBGenericData * >	_vdata
std::string	_attr
unsigned int	_type
DataOrigin	_source

Detailed Description

Used to store arbitrary attribute/set relationships. Should be used to store a set of OBGenericData based on an attribute.

Constructor & Destructor Documentation

OBSetData()

OBSetData ( )

inline

Member Function Documentation

Clone()

virtual OBGenericData* Clone ( OBBase *  ) const

inlinevirtual

Reimplemented from OBGenericData.

AddData()

void AddData ( OBGenericData *  d )

inline

Add an OBGenericData element to the set.

SetData()

void SetData ( std::vector< OBGenericData *> &  vdata )

inline

Set the array of data to a new vector.

GetData() [1/3]

OBGenericData* GetData ( const char *  s )

inline

Returns

the OBGenericData associate with the attribute name parameter.

GetData() [2/3]

OBGenericData* GetData ( const std::string &  s )

inline

Returns

the OBGenericData associate with the attribute name parameter.

GetData() [3/3]

virtual const std::vector<OBGenericData *>& GetData ( ) const

inlinevirtual

Gets the entire set.

GetBegin()

std::vector<OBGenericData*>::iterator GetBegin ( )

inline

Get the begin iterator.

GetEnd()

std::vector<OBGenericData*>::iterator GetEnd ( )

inline

Get the end iterator.

DeleteData()

void DeleteData ( OBGenericData *  gd )

inline

Delete the matching OBGenericData element.

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

_vdata

std::vector<OBGenericData *> _vdata

protected

_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=().

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

• generic.h