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Barycenter Class Reference

Molecule Class. More...

#include <PDBbarycenter.hh>

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...
 
BarycenterGetNext ()
 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...
 

Detailed Description

Molecule Class.

This Class define Molecule model ...

Definition at line 54 of file PDBbarycenter.hh.

Constructor & Destructor Documentation

Barycenter::Barycenter ( )

First constructor.

Definition at line 44 of file PDBbarycenter.cc.

44  :fBaryNum(0),fRadius(0),
45 fCenterX(0),fCenterY(0),fCenterZ(0),
49 fpNext(0)
50 {
51  for ( int i = 0; i < 33; ++i )
52  {
53  fDistanceTab[i] = 0.; //initialization
54  }
55 }
double fCenterBaseX
&quot;X coordinate&quot; of this Base Barycenter
double fCenterPhosphateZ
&quot;Z coordinate&quot; of this Phosphate Barycenter
double fCenterPhosphateX
&quot;X coordinate&quot; of this Phosphate Barycenter
double fCenterPhosphateY
&quot;Y coordinate&quot; of this Phosphate Barycenter
double fCenterY
&quot;Y coordinate&quot; of this nucelotide Barycenter
double fDistanceTab[33]
distance table [0..32] (11 hydrogens!)
double fCenterX
&quot;X coordinate&quot; of this nucelotide Barycenter
double fCenterSugarX
&quot;X coordinate&quot; of this Sugar Barycenter
int fBaryNum
Barycenter number.
double fCenterSugarY
&quot;Y coordinate&quot; of this Sugar Barycenter
double fCenterBaseZ
&quot;Z coordinate&quot; of this Base Barycenter
double fCenterSugarZ
&quot;Z coordinate&quot; of this Sugar Barycenter
double fRadius
double fCenterBaseY
&quot;Y coordinate&quot; of this Base Barycenter
double fCenterZ
&quot;Z coordinate&quot; of this nucelotide Barycenter
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.

63 {
64  fBaryNum=bNum;
65  fRadius=0;
66  fCenterX=x;
67  fCenterY=y;
68  fCenterZ=z;
69  for ( int i = 0; i < 33; ++i )
70  {
71  fDistanceTab[i] = 0.; //initialization
72  }
73  fCenterBaseX=Bx;
74  fCenterBaseY=By;
75  fCenterBaseZ=Bz;
76  fCenterSugarX=Sx;
77  fCenterSugarY=Sy;
78  fCenterSugarZ=Sz;
82  fpNext=0;
83 }
double fCenterBaseX
&quot;X coordinate&quot; of this Base Barycenter
double fCenterPhosphateZ
&quot;Z coordinate&quot; of this Phosphate Barycenter
double fCenterPhosphateX
&quot;X coordinate&quot; of this Phosphate Barycenter
double fCenterPhosphateY
&quot;Y coordinate&quot; of this Phosphate Barycenter
double fCenterY
&quot;Y coordinate&quot; of this nucelotide Barycenter
double fDistanceTab[33]
distance table [0..32] (11 hydrogens!)
double fCenterX
&quot;X coordinate&quot; of this nucelotide Barycenter
double fCenterSugarX
&quot;X coordinate&quot; of this Sugar Barycenter
int fBaryNum
Barycenter number.
tuple x
Definition: test.py:50
double fCenterSugarY
&quot;Y coordinate&quot; of this Sugar Barycenter
double fCenterBaseZ
&quot;Z coordinate&quot; of this Base Barycenter
double fCenterSugarZ
&quot;Z coordinate&quot; of this Sugar Barycenter
double fRadius
tuple z
Definition: test.py:28
double fCenterBaseY
&quot;Y coordinate&quot; of this Base Barycenter
double fCenterZ
&quot;Z coordinate&quot; of this nucelotide Barycenter
Barycenter::~Barycenter ( )
inline

Destructor.

Definition at line 65 of file PDBbarycenter.hh.

65 {};

Member Function Documentation

double Barycenter::GetDistance ( int  i)

Get the distance between atom i and nucleotide barycenter.

Definition at line 113 of file PDBbarycenter.cc.

114 {
115  return fDistanceTab[i];
116 }
double fDistanceTab[33]
distance table [0..32] (11 hydrogens!)
int Barycenter::GetID ( )

Get the first.

Get number Barycenter

Definition at line 92 of file PDBbarycenter.cc.

93 {
94  return fBaryNum;
95 }
int fBaryNum
Barycenter number.
Barycenter * Barycenter::GetNext ( )

Get the next Barycenter.

Definition at line 87 of file PDBbarycenter.cc.

88 {
89  return fpNext;
90 }

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double Barycenter::GetRadius ( )

Get the distance between the farther atom and nucleotide barycenter.

Definition at line 127 of file PDBbarycenter.cc.

128 {
129  return fRadius;
130 }
double fRadius
void Barycenter::SetDistance ( int  i,
double  dist 
)

Set the distance between atom i and nucleotide barycenter.

Definition at line 106 of file PDBbarycenter.cc.

107 {
108  fDistanceTab[i]=dist;
109 }
double fDistanceTab[33]
distance table [0..32] (11 hydrogens!)

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void Barycenter::SetNext ( Barycenter barycenterNext)

Set the next Barycenter.

Definition at line 99 of file PDBbarycenter.cc.

100 {
101  fpNext=barycenterNext;
102 }

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void Barycenter::SetRadius ( double  rds)

Set the distance between the farther atom and nucleotide barycenter.

Definition at line 120 of file PDBbarycenter.cc.

121 {
122  fRadius=rds;
123 }
double fRadius

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Member Data Documentation

int Barycenter::fBaryNum

Barycenter number.

Definition at line 84 of file PDBbarycenter.hh.

double Barycenter::fCenterBaseX

"X coordinate" of this Base Barycenter

Definition at line 92 of file PDBbarycenter.hh.

double Barycenter::fCenterBaseY

"Y coordinate" of this Base Barycenter

Definition at line 93 of file PDBbarycenter.hh.

double Barycenter::fCenterBaseZ

"Z coordinate" of this Base Barycenter

Definition at line 94 of file PDBbarycenter.hh.

double Barycenter::fCenterPhosphateX

"X coordinate" of this Phosphate Barycenter

Definition at line 100 of file PDBbarycenter.hh.

double Barycenter::fCenterPhosphateY

"Y coordinate" of this Phosphate Barycenter

Definition at line 101 of file PDBbarycenter.hh.

double Barycenter::fCenterPhosphateZ

"Z coordinate" of this Phosphate Barycenter

Definition at line 102 of file PDBbarycenter.hh.

double Barycenter::fCenterSugarX

"X coordinate" of this Sugar Barycenter

Definition at line 96 of file PDBbarycenter.hh.

double Barycenter::fCenterSugarY

"Y coordinate" of this Sugar Barycenter

Definition at line 97 of file PDBbarycenter.hh.

double Barycenter::fCenterSugarZ

"Z coordinate" of this Sugar Barycenter

Definition at line 98 of file PDBbarycenter.hh.

double Barycenter::fCenterX

"X coordinate" of this nucelotide Barycenter

Definition at line 88 of file PDBbarycenter.hh.

double Barycenter::fCenterY

"Y coordinate" of this nucelotide Barycenter

Definition at line 89 of file PDBbarycenter.hh.

double Barycenter::fCenterZ

"Z coordinate" of this nucelotide Barycenter

Definition at line 90 of file PDBbarycenter.hh.

double Barycenter::fDistanceTab[33]

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

Definition at line 85 of file PDBbarycenter.hh.

double Barycenter::fRadius

Definition at line 86 of file PDBbarycenter.hh.


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