Molecule Class Reference

Molecule Class. More...

#include <PDBmolecule.hh>

Collaboration diagram for Molecule:

Public Member Functions
	Molecule ()
	First constructor. More...
	Molecule (string resName, int mNum)
	Second constructor. More...
	~Molecule ()
	Destructor. More...
Molecule *	GetNext ()
	information about molecule (not implemented) More...
Residue *	GetFirst ()
	Get the first Residue. More...
int	GetID ()
	Get number Molecule. More...
void	SetNext (Molecule *)
	Set the next Molecule. More...
void	SetFirst (Residue *)
	Set the first Residue. More...

Public Attributes
string	fMolName
	Molecule name. More...
int	fMolNum
	Molecule number. More...
double	fMinGlobZ
double	fMaxGlobZ
double	fMinGlobX
double	fMaxGlobX
double	fMinGlobY
double	fMaxGlobY
int	fCenterX
	"X center" of this Molecule (for rotation...) More...
int	fCenterY
	"Y center" of this Molecule (for rotation...) More...
int	fCenterZ
	"Z center" of this Molecule (for rotation...) More...
int	fDistCenterMax
	dist from center to most away most of the molecule More...
int	fNbResidue
	Number of residue inside the molecule. More...

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

Detailed Description

Molecule Class.

This Class define Molecule model ...

Definition at line 62 of file PDBmolecule.hh.

Constructor & Destructor Documentation

Molecule() [1/2]

Molecule::Molecule

(

)

First constructor.

Definition at line 44 of file PDBmolecule.cc.

                  :
fMolName(""),fMolNum(0),fMinGlobZ(0),fMaxGlobZ(0),
fMinGlobX(0),fMaxGlobX(0),fMinGlobY(0),fMaxGlobY(0),
fCenterX(0),fCenterY(0),fCenterZ(0),fDistCenterMax(0),fNbResidue(0),
fpNext(0),fpFirst(0)
{
}

Molecule() [2/2]

Molecule::Molecule	(	string	resName,
		int	mNum
	)

Second constructor.

Definition at line 54 of file PDBmolecule.cc.

{
  fMolName=mN;  //Molecule name
  fMolNum=mNum; //Molecule number
  fMinGlobZ=0;
  fMaxGlobZ=0;
  fMinGlobX=0;
  fMaxGlobX=0;
  fMinGlobY=0;
  fMaxGlobY=0;
  fCenterX=0;
  fCenterY=0;
  fCenterZ=0;
  fDistCenterMax=0;
  fNbResidue=0;
  fpNext=0;
  fpFirst=0;
}

~Molecule()

Molecule::~Molecule ( )

inline

Destructor.

Definition at line 70 of file PDBmolecule.hh.

{};

Member Function Documentation

GetFirst()

Residue * Molecule::GetFirst

(

)

Get the first Residue.

Definition at line 82 of file PDBmolecule.cc.

{
  return fpFirst;
}

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GetID()

int Molecule::GetID

(

)

Get number Molecule.

Definition at line 89 of file PDBmolecule.cc.

{
  return fMolNum;
}

GetNext()

Molecule * Molecule::GetNext

(

)

information about molecule (not implemented)

Get the next molecule

Definition at line 75 of file PDBmolecule.cc.

{
  return fpNext;
}

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SetFirst()

void Molecule::SetFirst

(

Residue *

resFirst

)

Set the first Residue.

Definition at line 103 of file PDBmolecule.cc.

{
  fpFirst=resFirst;
}

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SetNext()

void Molecule::SetNext

(

Molecule *

moleculeNext

)

Set the next Molecule.

Definition at line 96 of file PDBmolecule.cc.

{
  fpNext=moleculeNext;
}

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Member Data Documentation

fCenterX

int Molecule::fCenterX

"X center" of this Molecule (for rotation...)

Definition at line 95 of file PDBmolecule.hh.

fCenterY

int Molecule::fCenterY

"Y center" of this Molecule (for rotation...)

Definition at line 96 of file PDBmolecule.hh.

fCenterZ

int Molecule::fCenterZ

"Z center" of this Molecule (for rotation...)

Definition at line 97 of file PDBmolecule.hh.

fDistCenterMax

int Molecule::fDistCenterMax

dist from center to most away most of the molecule

Definition at line 98 of file PDBmolecule.hh.

fMaxGlobX

double Molecule::fMaxGlobX

Definition at line 91 of file PDBmolecule.hh.

fMaxGlobY

double Molecule::fMaxGlobY

Definition at line 93 of file PDBmolecule.hh.

fMaxGlobZ

double Molecule::fMaxGlobZ

Definition at line 89 of file PDBmolecule.hh.

fMinGlobX

double Molecule::fMinGlobX

Definition at line 90 of file PDBmolecule.hh.

fMinGlobY

double Molecule::fMinGlobY

Definition at line 92 of file PDBmolecule.hh.

fMinGlobZ

double Molecule::fMinGlobZ

Definition at line 88 of file PDBmolecule.hh.

fMolName

string Molecule::fMolName

Molecule name.

Definition at line 85 of file PDBmolecule.hh.

fMolNum

int Molecule::fMolNum

Molecule number.

Definition at line 86 of file PDBmolecule.hh.

fNbResidue

int Molecule::fNbResidue

Number of residue inside the molecule.

Definition at line 99 of file PDBmolecule.hh.

fpFirst

Residue* Molecule::fpFirst

private

Header of the first Residue (usage before vector)

Definition at line 103 of file PDBmolecule.hh.

fpNext

Molecule* Molecule::fpNext

private

Header of the next Molecule (usage before vector)

Definition at line 102 of file PDBmolecule.hh.

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

• PDBmolecule.hh
• PDBmolecule.cc