#include <PDBatom.hh>

Collaboration diagram for Atom:

Public Member Functions
	Atom (int serial, const std::string &name, const std::string &resName, int numInRes, int resSeq, double xInit, double yInit, double zInit, double radius, double occupancy, double tempFactor, const std::string &element)
	constructor with initialization More...

	~Atom ()
	Empty destructor. More...

Atom *	GetNext ()
	Returns the next Atom. More...

double	GetX ()
	Return the X position for the Atom. More...

double	GetY ()
	Return the Y position for the Atom. More...

double	GetZ ()
	Return the Z position for the Atom. More...

int	GetID ()
	Return the Atom's ID. More...

const std::string &	GetName ()
	Return name of the atom. More...

const std::string &	GetElementName ()
	Return name of the element. More...

double	GetVanDerWaalsRadius ()
	Return name of the atom. More...

void	SetNext (Atom *)
	Set the next atom. More...

Public Attributes
int	fSerial
	its serial number More...

int	fNumInRes
	its number in residue sequence More...

std::string	fName
	Atom name. More...

std::string	fResName
	Residue name. More...

int	fResSeq
	Residue sequence number. More...

double	fX
	X orthogonal coordinates in Angstroms. More...

double	fY
	Y orthogonal coordinates in Angstroms. More...

double	fZ
	Z orthogonal coordinates in Angstroms. More...

double	fVdwRadius

double	fOccupancy
	Occupancy for the Atom. More...

std::string	fElement
	Element symbol extracted from 'atom name'. More...

double	fTempFactor
	Temperature factor for the Atom. More...

Detailed Description

Atom Class.

This Class define Atom model ...

Definition at line 56 of file PDBatom.hh.

Constructor & Destructor Documentation

Atom::Atom	(	int	serial,
		const std::string &	name,
		const std::string &	resName,
		int	numInRes,
		int	resSeq,
		double	xInit,
		double	yInit,
		double	zInit,
		double	radius,
		double	occupancy,
		double	tempFactor,
		const std::string &	element
	)

constructor with initialization

< Atom name

< Residue name

< Residue sequence number

< occupancy

Definition at line 44 of file PDBatom.cc.

 {
   fSerial=s;
   fName=n;
   fResName=rN;
   fNumInRes=numInRes;
   fResSeq=rS;
   fX=xInit;
   fY=yInit;
   fZ=zInit;
   fVdwRadius=radius;
   fOccupancy=o;
   fTempFactor=tF;
   fElement=e;
   fpNext=0;
 }

Atom::~Atom ( )

inline

Empty destructor.

Definition at line 74 of file PDBatom.hh.

75 {

76 };

Member Function Documentation

const std::string & Atom::GetElementName ( )

Return name of the element.

Definition at line 109 of file PDBatom.cc.

 {
   return fElement;
 }

int Atom::GetID ( )

Return the Atom's ID.

Definition at line 95 of file PDBatom.cc.

 {
   return fSerial;
 }

const std::string & Atom::GetName ( void )

Return name of the atom.

Definition at line 102 of file PDBatom.cc.

 {
   return fName;
 }

Atom * Atom::GetNext ( )

Returns the next Atom.

Definition at line 67 of file PDBatom.cc.

 {
   return fpNext;
 }

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double Atom::GetVanDerWaalsRadius ( )

Return name of the atom.

Definition at line 116 of file PDBatom.cc.

 {
   return fVdwRadius;
 }

double Atom::GetX ( )

Return the X position for the Atom.

Definition at line 74 of file PDBatom.cc.

 {
   return fX;
 }

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double Atom::GetY ( )

Return the Y position for the Atom.

Definition at line 81 of file PDBatom.cc.

 {
   return fY;
 }

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double Atom::GetZ ( )

Return the Z position for the Atom.

Definition at line 88 of file PDBatom.cc.

 {
   return fZ;
 }

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void Atom::SetNext ( Atom * AtomNext )

Set the next atom.

Definition at line 123 of file PDBatom.cc.

 {
   fpNext=AtomNext;
 }

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Member Data Documentation

std::string Atom::fElement

Element symbol extracted from 'atom name'.

Definition at line 107 of file PDBatom.hh.

std::string Atom::fName

Atom name.

Definition at line 99 of file PDBatom.hh.

int Atom::fNumInRes

its number in residue sequence

Definition at line 98 of file PDBatom.hh.

double Atom::fOccupancy

Occupancy for the Atom.

Definition at line 106 of file PDBatom.hh.

std::string Atom::fResName

Residue name.

Definition at line 100 of file PDBatom.hh.

int Atom::fResSeq

Residue sequence number.

Definition at line 101 of file PDBatom.hh.

int Atom::fSerial

its serial number

Definition at line 97 of file PDBatom.hh.

double Atom::fTempFactor

Temperature factor for the Atom.

Definition at line 108 of file PDBatom.hh.

double Atom::fVdwRadius

Definition at line 105 of file PDBatom.hh.

double Atom::fX

X orthogonal coordinates in Angstroms.

Definition at line 102 of file PDBatom.hh.

double Atom::fY

Y orthogonal coordinates in Angstroms.

Definition at line 103 of file PDBatom.hh.

double Atom::fZ

Z orthogonal coordinates in Angstroms.

Definition at line 104 of file PDBatom.hh.

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

source/geant4.10.03.p03/examples/extended/medical/dna/pdb4dna/include/PDBatom.hh
source/geant4.10.03.p03/examples/extended/medical/dna/pdb4dna/src/PDBatom.cc

Public Member Functions

Public Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation