Atom Class Reference

#include <PRO.h>

Collaboration diagram for Atom:

[legend]List of all members.

Public Member Functions
	Atom ()
void	setParm_No (const char *str)
void	setParm_Weight (const float w)
void	setParm_name (const char *str)
void	setParm_isomer (const char *str)
void	setParm_residueName (const char *str)
void	setParm_chainName (const char *str)
void	setParm_residueNo (const char *str)
void	setParm_extra (const char *str)
void	setParm_xyz (const float x, const float y, const float z)
void	setParm_TFactor (const float t)
void	setParm_seqlNo (const int t)
void	setParm_residueSeqlNo (const int t)
void	setParm_chainSeqlNo (const int t)
void	setParm_residue_p (Residue *pt)
void	setParm_chain_p (Chain *pt)
void	setParm_active (const bool b)
Atom	operator= (const Atom &pp)
void	link (Atom &pp)
float	operator- (const Atom &pp)
float	distanceSquare (const Atom &pp)
float	vdw ()
Atom	operator<= (const Atom &bb)
Atom	operator+ (const Atom &bb)
Atom	operator * (const Atom atm)
float	distanceSquare (Atom pp)
Public Attributes
char	No [6]
char	name [6]
char	isomer [2]
char	residueName [5]
char	chainName [2]
char	residueNo [6]
char	extra [15]
float	xyz [3]
float	TFactor
int	seqlNo
int	residueSeqlNo
int	chainSeqlNo
Residue *	residue_p
Chain *	chain_p
Protein *	protein_p
Atom *	bond [4]
short int	bondNo
short int	bondCovalence [4]
bool	active
float	weight
Friends
ofstream &	operator<< (ofstream &ostrm, Atom &atom)
float	bondLengthLimit (const Atom &aa, const Atom &bb)

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Constructor & Destructor Documentation

Atom::Atom (   )

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Member Function Documentation

float Atom::distanceSquare (  Atom  pp  )

float Atom::distanceSquare (  const Atom &  pp  )

void Atom::link (  Atom &  pp  )

Atom Atom::operator * (  const Atom  atm  )

Atom Atom::operator+ (  const Atom &  bb  )

float Atom::operator- (  const Atom &  pp  )

Atom Atom::operator<= (  const Atom &  bb  )

Atom Atom::operator= (  const Atom &  pp  )

void Atom::setParm_active (  const bool  b  )  [inline]

void Atom::setParm_chain_p (  Chain *  pt  )  [inline]

void Atom::setParm_chainName (  const char *  str  )  [inline]

void Atom::setParm_chainSeqlNo (  const int  t  )  [inline]

void Atom::setParm_extra (  const char *  str  )  [inline]

void Atom::setParm_isomer (  const char *  str  )  [inline]

void Atom::setParm_name (  const char *  str  )  [inline]

void Atom::setParm_No (  const char *  str  )  [inline]

void Atom::setParm_residue_p (  Residue *  pt  )  [inline]

void Atom::setParm_residueName (  const char *  str  )  [inline]

void Atom::setParm_residueNo (  const char *  str  )  [inline]

void Atom::setParm_residueSeqlNo (  const int  t  )  [inline]

void Atom::setParm_seqlNo (  const int  t  )  [inline]

void Atom::setParm_TFactor (  const float  t  )  [inline]

void Atom::setParm_Weight (  const float  w  )  [inline]

void Atom::setParm_xyz (  const float  x, const float  y, const float  z )  [inline]

float Atom::vdw (   )

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Friends And Related Function Documentation

float bondLengthLimit (  const Atom &  aa, const Atom &  bb )  [friend]

ofstream& operator<< (  ofstream &  ostrm, Atom &  atom )  [friend]

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Member Data Documentation

bool Atom::active

Atom* Atom::bond[4]

short int Atom::bondCovalence[4]

short int Atom::bondNo

Chain* Atom::chain_p

char Atom::chainName[2]

int Atom::chainSeqlNo

char Atom::extra[15]

char Atom::isomer[2]

char Atom::name[6]

char Atom::No[6]

Protein* Atom::protein_p

Residue* Atom::residue_p

char Atom::residueName[5]

char Atom::residueNo[6]

int Atom::residueSeqlNo

int Atom::seqlNo

float Atom::TFactor

float Atom::weight

float Atom::xyz[3]

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

• lib/PRO.h

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