ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::AngleInfo Class Reference

#include <AngleInfo.h>

List of all members.

Public Types

enum  {
  ANGLE_VALUE = 10001,
  ANGLE_POINTER = 10002,
  ANGLE_NOTSET = 10003,
  VISITED = 10001,
  NOT_VISITED = 10002
}

Public Member Functions

 AngleInfo ()
 ~AngleInfo ()
void addBond (int atom)
void setAngle (Real angle)
void setPointer (unsigned int atom)
void setExclusionAtom ()
void setInnerAtom ()
void setVisited ()
void setAtomID (unsigned int ID)
unsigned int getAngleType () const
unsigned int getBond (unsigned int index) const
unsigned int numBonds () const
unsigned int getAtomID () const
Real getAngle () const
unsigned int getPointer () const
bool isExclusionAtom () const
bool isInnerAtom () const
bool isVisited () const

Private Attributes

Real m_angle
unsigned int m_atomID
unsigned int m_pointer
unsigned int m_angleType
bool m_visited
bool m_isExclusionAtom
bool m_isInnerAtom
std::vector< unsigned int > m_bondedAtoms

Detailed Description

No comment Cplt!

Member Enumeration Documentation

anonymous enum
 

Enumeration values:
ANGLE_VALUE 
ANGLE_POINTER 
ANGLE_NOTSET 
VISITED 
NOT_VISITED 

Constructor & Destructor Documentation

ProtoMol::AngleInfo::AngleInfo (   ) 
 

ProtoMol::AngleInfo::~AngleInfo (   ) 
 

Member Function Documentation

void ProtoMol::AngleInfo::addBond (  int  atom  ) 
 

Real ProtoMol::AngleInfo::getAngle (   )  const
 

unsigned int ProtoMol::AngleInfo::getAngleType (   )  const
 

unsigned int ProtoMol::AngleInfo::getAtomID (   )  const
 

unsigned int ProtoMol::AngleInfo::getBond (  unsigned int  index  )  const
 

unsigned int ProtoMol::AngleInfo::getPointer (   )  const
 

bool ProtoMol::AngleInfo::isExclusionAtom (   )  const
 

bool ProtoMol::AngleInfo::isInnerAtom (   )  const
 

bool ProtoMol::AngleInfo::isVisited (   )  const
 

unsigned int ProtoMol::AngleInfo::numBonds (   )  const
 

void ProtoMol::AngleInfo::setAngle (  Real  angle  ) 
 

void ProtoMol::AngleInfo::setAtomID (  unsigned int  ID  ) 
 

void ProtoMol::AngleInfo::setExclusionAtom (   ) 
 

void ProtoMol::AngleInfo::setInnerAtom (   ) 
 

void ProtoMol::AngleInfo::setPointer (  unsigned int  atom  ) 
 

void ProtoMol::AngleInfo::setVisited (   ) 
 

Member Data Documentation

Real ProtoMol::AngleInfo::m_angle [private]
 

unsigned int ProtoMol::AngleInfo::m_angleType [private]
 

unsigned int ProtoMol::AngleInfo::m_atomID [private]
 

std::vector<unsigned int> ProtoMol::AngleInfo::m_bondedAtoms [private]
 

bool ProtoMol::AngleInfo::m_isExclusionAtom [private]
 

bool ProtoMol::AngleInfo::m_isInnerAtom [private]
 

unsigned int ProtoMol::AngleInfo::m_pointer [private]
 

bool ProtoMol::AngleInfo::m_visited [private]
 

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.