#include <PDBbarycenter.hh>

Collaboration diagram for Barycenter:

Public Member Functions
	Barycenter ()
	First constructor. More...

	Barycenter (int bNum, double x, double y, double z, double Bx, double By, double Bz, double Sx, double Sy, double Sz, double Px, double Py, double Pz)
	Second constructor. More...

	~Barycenter ()
	Destructor. More...

Barycenter *	GetNext ()
	Get the next Barycenter. More...

int	GetID ()
	Get the first. More...

void	SetNext (Barycenter *)
	Set the next Barycenter. More...

void	SetDistance (int i, double)
	Set the distance between atom i and nucleotide barycenter. More...

double	GetDistance (int i)
	Get the distance between atom i and nucleotide barycenter. More...

void	SetRadius (double)
	Set the distance between the farther atom and nucleotide barycenter. More...

double	GetRadius ()
	Get the distance between the farther atom and nucleotide barycenter. More...

Public Attributes
int	fBaryNum
	Barycenter number. More...

double	fDistanceTab [33]
	distance table [0..32] (11 hydrogens!) More...

double	fRadius

double	fCenterX
	"X coordinate" of this nucelotide Barycenter More...

double	fCenterY
	"Y coordinate" of this nucelotide Barycenter More...

double	fCenterZ
	"Z coordinate" of this nucelotide Barycenter More...

double	fCenterBaseX
	"X coordinate" of this Base Barycenter More...

double	fCenterBaseY
	"Y coordinate" of this Base Barycenter More...

double	fCenterBaseZ
	"Z coordinate" of this Base Barycenter More...

double	fCenterSugarX
	"X coordinate" of this Sugar Barycenter More...

double	fCenterSugarY
	"Y coordinate" of this Sugar Barycenter More...

double	fCenterSugarZ
	"Z coordinate" of this Sugar Barycenter More...

double	fCenterPhosphateX
	"X coordinate" of this Phosphate Barycenter More...

double	fCenterPhosphateY
	"Y coordinate" of this Phosphate Barycenter More...

double	fCenterPhosphateZ
	"Z coordinate" of this Phosphate Barycenter More...

Private Attributes
Barycenter *	fpNext
	Header of the next Molecule (usage before vector) More...

Detailed Description

Molecule Class.

This Class define Molecule model ...

Definition at line 54 of file PDBbarycenter.hh.

Constructor & Destructor Documentation

◆ Barycenter() [1/2]

Barycenter::Barycenter ( )

First constructor.

Definition at line 44 of file PDBbarycenter.cc.

                       :fBaryNum(0),fRadius(0),
 fCenterX(0),fCenterY(0),fCenterZ(0),
 fCenterBaseX(0),fCenterBaseY(0),fCenterBaseZ(0),
 fCenterSugarX(0),fCenterSugarY(0),fCenterSugarZ(0),
 fCenterPhosphateX(0),fCenterPhosphateY(0),fCenterPhosphateZ(0),
 fpNext(0)
 {
   for ( int i = 0; i < 33; ++i )
   {
     fDistanceTab[i] = 0.; //initialization
   }
 }

◆ Barycenter() [2/2]

Barycenter::Barycenter	(	int	bNum,
		double	x,
		double	y,
		double	z,
		double	Bx,
		double	By,
		double	Bz,
		double	Sx,
		double	Sy,
		double	Sz,
		double	Px,
		double	Py,
		double	Pz
	)

Second constructor.

<Barycenter number

< "X coordinate" of this Base Barycenter

< "Y coordinate" of this Base Barycenter

< "Z coordinate" of this Base Barycenter

< "X coordinate" of this Sugar Barycenter

< "Y coordinate" of this Sugar Barycenter

< "Z coordinate" of this Sugar Barycenter

< "X coordinate" of this Phosphate Barycenter

< "Y coordinate" of this Phosphate Barycenter

< "Z coordinate" of this Phosphate Barycenter

Definition at line 59 of file PDBbarycenter.cc.

 {
   fBaryNum=bNum;
   fRadius=0;
   fCenterX=x;
   fCenterY=y;
   fCenterZ=z;
   for ( int i = 0; i < 33; ++i )
   {
     fDistanceTab[i] = 0.; //initialization
   }
   fCenterBaseX=Bx;           
   fCenterBaseY=By;           
   fCenterBaseZ=Bz;           
   fCenterSugarX=Sx;          
   fCenterSugarY=Sy;          
   fCenterSugarZ=Sz;          
   fCenterPhosphateX=Px;      
   fCenterPhosphateY=Py;      
   fCenterPhosphateZ=Pz;      
   fpNext=0;
 }

◆ ~Barycenter()

Barycenter::~Barycenter ( )

inline

Destructor.

Definition at line 65 of file PDBbarycenter.hh.

65 {};

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Member Function Documentation

◆ GetDistance()

double Barycenter::GetDistance ( int i )

Get the distance between atom i and nucleotide barycenter.

Definition at line 113 of file PDBbarycenter.cc.

 {
   return fDistanceTab[i];
 }

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◆ GetID()

int Barycenter::GetID ( )

Get the first.

Get number Barycenter

Definition at line 92 of file PDBbarycenter.cc.

 {
   return fBaryNum;
 }

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◆ GetNext()

Barycenter * Barycenter::GetNext ( )

Get the next Barycenter.

Definition at line 87 of file PDBbarycenter.cc.

 {
   return fpNext;
 }

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◆ GetRadius()

double Barycenter::GetRadius ( )

Get the distance between the farther atom and nucleotide barycenter.

Definition at line 127 of file PDBbarycenter.cc.

 {
   return fRadius;
 }

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◆ SetDistance()

void Barycenter::SetDistance	(	int	i,
		double	dist
	)

Set the distance between atom i and nucleotide barycenter.

Definition at line 106 of file PDBbarycenter.cc.

 {
   fDistanceTab[i]=dist;
 }

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◆ SetNext()

void Barycenter::SetNext ( Barycenter * barycenterNext )

Set the next Barycenter.

Definition at line 99 of file PDBbarycenter.cc.

 {
   fpNext=barycenterNext;
 }

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◆ SetRadius()

void Barycenter::SetRadius ( double rds )

Set the distance between the farther atom and nucleotide barycenter.

Definition at line 120 of file PDBbarycenter.cc.

 {
   fRadius=rds;
 }

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Member Data Documentation

◆ fBaryNum

int Barycenter::fBaryNum

Barycenter number.

Definition at line 84 of file PDBbarycenter.hh.

◆ fCenterBaseX

double Barycenter::fCenterBaseX

"X coordinate" of this Base Barycenter

Definition at line 92 of file PDBbarycenter.hh.

◆ fCenterBaseY

double Barycenter::fCenterBaseY

"Y coordinate" of this Base Barycenter

Definition at line 93 of file PDBbarycenter.hh.

◆ fCenterBaseZ

double Barycenter::fCenterBaseZ

"Z coordinate" of this Base Barycenter

Definition at line 94 of file PDBbarycenter.hh.

◆ fCenterPhosphateX

double Barycenter::fCenterPhosphateX

"X coordinate" of this Phosphate Barycenter

Definition at line 100 of file PDBbarycenter.hh.

◆ fCenterPhosphateY

double Barycenter::fCenterPhosphateY

"Y coordinate" of this Phosphate Barycenter

Definition at line 101 of file PDBbarycenter.hh.

◆ fCenterPhosphateZ

double Barycenter::fCenterPhosphateZ

"Z coordinate" of this Phosphate Barycenter

Definition at line 102 of file PDBbarycenter.hh.

◆ fCenterSugarX

double Barycenter::fCenterSugarX

"X coordinate" of this Sugar Barycenter

Definition at line 96 of file PDBbarycenter.hh.

◆ fCenterSugarY

double Barycenter::fCenterSugarY

"Y coordinate" of this Sugar Barycenter

Definition at line 97 of file PDBbarycenter.hh.

◆ fCenterSugarZ

double Barycenter::fCenterSugarZ

"Z coordinate" of this Sugar Barycenter

Definition at line 98 of file PDBbarycenter.hh.

◆ fCenterX

double Barycenter::fCenterX

"X coordinate" of this nucelotide Barycenter

Definition at line 88 of file PDBbarycenter.hh.

◆ fCenterY

double Barycenter::fCenterY

"Y coordinate" of this nucelotide Barycenter

Definition at line 89 of file PDBbarycenter.hh.

◆ fCenterZ

double Barycenter::fCenterZ

"Z coordinate" of this nucelotide Barycenter

Definition at line 90 of file PDBbarycenter.hh.

◆ fDistanceTab

double Barycenter::fDistanceTab[33]

distance table [0..32] (11 hydrogens!)

Definition at line 85 of file PDBbarycenter.hh.

◆ fpNext

Barycenter* Barycenter::fpNext

private

Header of the next Molecule (usage before vector)

Definition at line 105 of file PDBbarycenter.hh.

◆ fRadius

double Barycenter::fRadius

Definition at line 86 of file PDBbarycenter.hh.

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

Public Member Functions

Public Attributes

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ Barycenter() [1/2]

◆ Barycenter() [2/2]

◆ ~Barycenter()

Member Function Documentation

◆ GetDistance()

◆ GetID()

◆ GetNext()

◆ GetRadius()

◆ SetDistance()

◆ SetNext()

◆ SetRadius()

Member Data Documentation

◆ fBaryNum

◆ fCenterBaseX

◆ fCenterBaseY

◆ fCenterBaseZ

◆ fCenterPhosphateX

◆ fCenterPhosphateY

◆ fCenterPhosphateZ

◆ fCenterSugarX

◆ fCenterSugarY

◆ fCenterSugarZ

◆ fCenterX

◆ fCenterY

◆ fCenterZ

◆ fDistanceTab

◆ fpNext

◆ fRadius