OpenBabel::OBAngleData

OBAngleData Class Reference

Used to hold all angles in a molecule as generic data for OBMol. More...

#include <generic.h>

Inheritance diagram for OBAngleData:

Inheritance graph
[legend]
List of all members.

Public Member Functions

OBAngleData & operator= (const OBAngleData &)
 OBAngleData assignment operator.
void Clear ()
 sets OBAngleData to its original state
unsigned int FillAngleArray (int **angles, unsigned int &size)
 Fills an array with the indices of the atoms in the angle (vertex first).
void SetData (OBAngle &)
 Adds a new angle to OBAngleData.
unsigned int GetSize () const
 Gets the number of angles.
void SetAttribute (const std::string &v)
virtual const std::string & GetAttribute () const
unsigned int GetDataType () const

Protected Member Functions

 OBAngleData ()
 OBAngleData constructor.
 OBAngleData (const OBAngleData &)
 OBAngleData copy constructor.
std::vector< OBAngle > GetData () const
 Gets the angle vector data.

Protected Attributes

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

Friends

class OBMol

Detailed Description

Used to hold all angles in a molecule as generic data for OBMol.

Constructor & Destructor Documentation

OBAngleData (  )  [protected]

OBAngleData constructor.

OBAngleData ( const OBAngleData &   )  [protected]

OBAngleData copy constructor.

Member Function Documentation

GetData (  )  const [inline, protected]

Gets the angle vector data.

Returns:
pointer to vector<OBAngle>

OBAngleData & operator= ( const OBAngleData &   ) 

OBAngleData assignment operator.

void Clear (  ) 

sets OBAngleData to its original state

unsigned int FillAngleArray ( int **  angles,
unsigned int &  size 
)

Fills an array with the indices of the atoms in the angle (vertex first).

Parameters:
angles pointer to the pointer to an array of angles atom indices
size the current number of rows in the array
Returns:
int The number of angles

void SetData ( OBAngle &   ) 

Adds a new angle to OBAngleData.

GetSize (  )  const [inline]

Gets the number of angles.

Returns:
integer count of the number of angles

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]

Member Data Documentation

std::vector<OBAngle> _angles [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: