OpenBabel::OBSerialNums

OBSerialNums Class Reference

Defines a map between serial numbers (e.g., in a PDB file) and OBAtom objects inside a molecule. More...

#include <openbabel/generic.h>

Inheritance diagram for OBSerialNums:

Inheritance graph
[legend]
List of all members.

Public Member Functions

 OBSerialNums ()
 OBSerialNums (const OBSerialNums &cp)
virtual OBGenericData * Clone (OBBase *) const
std::map< int, OBAtom * > & GetData ()
void SetData (std::map< int, OBAtom * > &sm)
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::map< int, OBAtom * > _serialMap
std::string _attr
unsigned int _type
DataOrigin _source

Detailed Description

Defines a map between serial numbers (e.g., in a PDB file) and OBAtom objects inside a molecule.

Constructor & Destructor Documentation

OBSerialNums (  )  [inline]

OBSerialNums ( const OBSerialNums &  cp  )  [inline]

Member Function Documentation

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

Member variables contain OBAtom pointers, so copying only valid within same molecule, unless the code is modified, as in OBRotamerList

Reimplemented from OBGenericData.

std::map<int,OBAtom*>& GetData (  )  [inline]

void SetData ( std::map< int, OBAtom * > &  sm  )  [inline]

void SetAttribute ( const std::string &  v  )  [inline, inherited]

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

void SetOrigin ( const DataOrigin  s  )  [inline, inherited]

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

virtual const std::string& GetAttribute (  )  const [inline, virtual, inherited]

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

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, OBPairData, and OBPairTemplate.

virtual DataOrigin GetOrigin (  )  const [inline, virtual, inherited]

Member Data Documentation

std::map<int, OBAtom*> _serialMap [protected]

map between serial num

std::string _attr [protected, inherited]

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

unsigned int _type [protected, inherited]

attribute type -- declared for each subclass

DataOrigin _source [protected, inherited]

source of data for accounting

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