OpenBabel::OBAngle

OBAngle Class Reference

Used to hold the 3 atoms in an angle and the angle itself. More...

#include <generic.h>

List of all members.

Public Member Functions

 OBAngle (const OBAngle &)
 OBAngle copy constructor.
 ~OBAngle ()
OBAngle & operator= (const OBAngle &)
 OBAngle assignment operator.
bool operator== (const OBAngle &)
 OBAngle equality operator, is same angle, NOT same value.
void Clear ()
 Return OBAngle to its original state.
double GetAngle () const
 Gets the OBAngle angle value.
void SetAngle (double radians)
 Sets the OBAngle angle value.
void SetAtoms (OBAtom *vertex, OBAtom *a, OBAtom *b)
 Sets the 3 atoms in the angle Parameters are pointers to each OBAtom.
void SetAtoms (triple< OBAtom *, OBAtom *, OBAtom * > &atoms)
 Sets the 3 atoms in the angle.

Protected Member Functions

 OBAngle ()
 Angle default constructor.
 OBAngle (OBAtom *vertex, OBAtom *a, OBAtom *b)
 Angle constructor.
triple< OBAtom *, OBAtom *,
OBAtom * > 		GetAtoms ()
 Retrieves the 3 atom pointer for the angle (vertex first).
void SortByIndex ()
 sorts atoms in angle by order of indices

Protected Attributes

OBAtom * _vertex
std::pair< OBAtom *, OBAtom * > _termini
double _radians

Friends

class OBMol
class OBAngleData

Detailed Description

Used to hold the 3 atoms in an angle and the angle itself.

Constructor & Destructor Documentation

OBAngle (  )  [protected]

Angle default constructor.

OBAngle ( OBAtom *  vertex,
OBAtom *  a,
OBAtom *  b 
) [protected]

Angle constructor.

OBAngle ( const OBAngle &   ) 

OBAngle copy constructor.

~OBAngle (  )  [inline]

Member Function Documentation

triple< OBAtom *, OBAtom *, OBAtom * > GetAtoms (  )  [protected]

Retrieves the 3 atom pointer for the angle (vertex first).

Returns:
triple of OBAtom pointers

void SortByIndex (  )  [protected]

sorts atoms in angle by order of indices

OBAngle & operator= ( const OBAngle &   ) 

OBAngle assignment operator.

bool operator== ( const OBAngle &  other  ) 

OBAngle equality operator, is same angle, NOT same value.

Returns:
boolean equality

void Clear (  ) 

Return OBAngle to its original state.

GetAngle (  )  const [inline]

Gets the OBAngle angle value.

Returns:
angle in radians

SetAngle ( double  angle  )  [inline]

Sets the OBAngle angle value.

Parameters:
angle in radians

void SetAtoms ( OBAtom *  vertex,
OBAtom *  a,
OBAtom *  b 
)

Sets the 3 atoms in the angle Parameters are pointers to each OBAtom.

void SetAtoms ( triple< OBAtom *, OBAtom *, OBAtom * > &  atoms  ) 

Sets the 3 atoms in the angle.

Parameters:
atoms a triple of OBAtom pointers, the first must be the vertex

Friends And Related Function Documentation

friend class OBMol [friend]

friend class OBAngleData [friend]

Member Data Documentation

OBAtom* _vertex [protected]

std::pair<OBAtom*,OBAtom*> _termini [protected]

double _radians [protected]

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