OBMatrixData Class Reference

Used to hold a 3x3 matrix item (e.g., a quadrupole moment) More...

#include <openbabel/generic.h>

Inheritance diagram for OBMatrixData:
OBGenericData

List of all members.

Public Member Functions

 OBMatrixData ()
virtual ~OBMatrixData ()
virtual OBGenericDataClone (OBBase *) const
void SetData (matrix3x3 data)
matrix3x3 GetData () const
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

matrix3x3 _matrix
std::string _attr
unsigned int _type
DataOrigin _source

Detailed Description

Used to hold a 3x3 matrix item (e.g., a quadrupole moment)

Since:
version 2.2

Constructor & Destructor Documentation

OBMatrixData (  ) [inline]
virtual ~OBMatrixData (  ) [inline, virtual]

Member Function Documentation

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

Reimplemented from OBGenericData.

void SetData ( matrix3x3  data ) [inline]
matrix3x3 GetData (  ) const [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

matrix3x3 _matrix [protected]

3x3 matrix to be stored

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 file:
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