OBSetData Class Reference

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

#include <openbabel/generic.h>

Inheritance diagram for OBSetData:

List of all members.

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

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Detailed Description

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

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Constructor & Destructor Documentation

OBSetData

(

)

[inline]

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Member Function Documentation

virtual OBGenericData* Clone

(

OBBase *

)

const [inline, virtual]

Reimplemented from OBGenericData.

void AddData

(

OBGenericData *

d )

[inline]

Add an OBGenericData element to the set.

void SetData

(

std::vector< OBGenericData * > &

vdata )

[inline]

Set the array of data to a new vector.

OBGenericData* GetData

(

const char *

s )

[inline]

Returns:

the OBGenericData associate with the attribute name parameter.

OBGenericData* GetData

(

const std::string &

s )

[inline]

Returns:

the OBGenericData associate with the attribute name parameter.

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

(

)

const [inline, virtual]

Gets the entire set.

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

(

)

[inline]

Get the begin iterator.

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

(

)

[inline]

Get the end iterator.

void DeleteData

(

OBGenericData *

gd )

[inline]

Delete the matching OBGenericData element.

void SetAttribute

(

const std::string &

v )

[inline, inherited]

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

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

void SetOrigin

(

const DataOrigin

s )

[inline, inherited]

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

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

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]

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Member Data Documentation

std::vector<OBGenericData *> _vdata [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]

source of data for accounting

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

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

• generic.h