OpenBabel::OBChiralData

OBChiralData Class Reference

Used to hold chiral inforamtion about the atom as OBGenericData. More...

#include <generic.h>

Inheritance diagram for OBChiralData:

Inheritance graph
[legend]
List of all members.

Public Member Functions

std::vector< unsigned int > GetAtom4Refs (atomreftype t) const
unsigned int GetAtomRef (int a, atomreftype t)
 OBChiralData ()
 OBChiralData (const OBChiralData &src)
OBChiralData & operator= (const OBChiralData &)
 ~OBChiralData ()
void Clear ()
bool SetAtom4Refs (std::vector< unsigned int > atom4refs, atomreftype t)
int AddAtomRef (unsigned int atomref, atomreftype t)
unsigned int GetSize (atomreftype t) const
void SetAttribute (const std::string &v)
virtual const std::string & GetAttribute () const
unsigned int GetDataType () const

Protected Attributes

std::vector< unsigned int > _atom4refs
int parity
std::vector< unsigned int > _atom4refo
std::vector< unsigned int > _atom4refc
std::string _attr
 attribute tag (e.g., "UnitCell", "Comment" or "Author")
unsigned int _type
 attribute type -- declared for each subclass

Friends

class OBMol
class OBAtom

Detailed Description

Used to hold chiral inforamtion about the atom as OBGenericData.

Constructor & Destructor Documentation

OBChiralData (  ) 

OBChiralData ( const OBChiralData &  src  ) 

~OBChiralData (  )  [inline]

Member Function Documentation

std::vector< unsigned int > GetAtom4Refs ( atomreftype  t  )  const

unsigned int GetAtomRef ( int  a,
atomreftype  t 
)

OBChiralData & operator= ( const OBChiralData &   ) 

void Clear (  ) 

bool SetAtom4Refs ( std::vector< unsigned int >  atom4refs,
atomreftype  t 
)

int AddAtomRef ( unsigned int  atomref,
atomreftype  t 
)

unsigned int GetSize ( atomreftype  t  )  const

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

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

unsigned int GetDataType (  )  const [inline, inherited]

Friends And Related Function Documentation

friend class OBMol [friend]

friend class OBAtom [friend]

Member Data Documentation

std::vector<unsigned int> _atom4refs [protected]

int parity [protected]

std::vector<unsigned int> _atom4refo [protected]

std::vector<unsigned int> _atom4refc [protected]

std::string _attr [protected, inherited]

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

unsigned int _type [protected, inherited]

attribute type -- declared for each subclass

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