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Molecule Class Reference

Molecule Class. More...

#include <geant4/tree/geant4-10.6-release/examples/extended/medical/dna/pdb4dna/include/PDBmolecule.hh>

+ Collaboration diagram for Molecule:

Public Member Functions

 Molecule ()
 
 Molecule (string name, int copyNumber, const ThreeVector< double > &position, int strand)
 
 ~Molecule ()
 
 Molecule ()
 First constructor.
 
 Molecule (const std::string &resName, int mNum)
 Second constructor.
 
 ~Molecule ()
 Destructor.
 
MoleculeGetNext ()
 information about molecule (not implemented)
 
ResidueGetFirst ()
 Get the first Residue.
 
int GetID ()
 Get number Molecule.
 
void SetNext (Molecule *)
 Set the next Molecule.
 
void SetFirst (Residue *)
 Set the first Residue.
 

Public Attributes

string fName
 
string fMaterial
 
int fCopyNumber
 
int fStrand
 
ThreeVector< double > fPosition
 
double fRadius
 
double fRadiusWater
 
std::string fMolName
 Molecule name.
 
int fMolNum
 Molecule number.
 
double fMinGlobZ
 
double fMaxGlobZ
 
double fMinGlobX
 
double fMaxGlobX
 
double fMinGlobY
 
double fMaxGlobY
 
int fCenterX
 "X center" of this Molecule (for rotation...)
 
int fCenterY
 "Y center" of this Molecule (for rotation...)
 
int fCenterZ
 "Z center" of this Molecule (for rotation...)
 
int fDistCenterMax
 dist from center to most away most of the molecule
 
int fNbResidue
 Number of residue inside the molecule.
 

Private Attributes

MoleculefpNext
 Header of the next Molecule (usage before vector)
 
ResiduefpFirst
 Header of the first Residue (usage before vector)
 

Detailed Description

Molecule Class.

This Class define Molecule model ...

Definition at line 55 of file molecule.C.

View newest version in sPHENIX GitHub at line 55 of file molecule.C

Constructor & Destructor Documentation

Molecule::Molecule ( )
inline

Definition at line 58 of file molecule.C.

View newest version in sPHENIX GitHub at line 58 of file molecule.C

Molecule::Molecule ( string  name,
int  copyNumber,
const ThreeVector< double > &  position,
int  strand 
)
inline

Definition at line 59 of file molecule.C.

View newest version in sPHENIX GitHub at line 59 of file molecule.C

Molecule::~Molecule ( )
inline

Definition at line 68 of file molecule.C.

View newest version in sPHENIX GitHub at line 68 of file molecule.C

Molecule::Molecule ( )

First constructor.

Molecule::Molecule ( const std::string &  resName,
int  mNum 
)

Second constructor.

Definition at line 53 of file PDBmolecule.cc.

View newest version in sPHENIX GitHub at line 53 of file PDBmolecule.cc

References fCenterX, fCenterY, fCenterZ, fDistCenterMax, fMaxGlobX, fMaxGlobY, fMaxGlobZ, fMinGlobX, fMinGlobY, fMinGlobZ, fMolName, fMolNum, fNbResidue, fpFirst, and fpNext.

Molecule::~Molecule ( )
inline

Destructor.

Definition at line 65 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 65 of file PDBmolecule.hh

Member Function Documentation

Residue * Molecule::GetFirst ( )

Get the first Residue.

Definition at line 81 of file PDBmolecule.cc.

View newest version in sPHENIX GitHub at line 81 of file PDBmolecule.cc

References fpFirst.

Referenced by DetectorConstruction::AtomisticView(), PDBlib::ComputeMatchEdepDNA(), PDBlib::ComputeNbNucleotidsPerStrand(), and PDBlib::ComputeNucleotideBarycenters().

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int Molecule::GetID ( )

Get number Molecule.

Definition at line 88 of file PDBmolecule.cc.

View newest version in sPHENIX GitHub at line 88 of file PDBmolecule.cc

References fMolNum.

Molecule * Molecule::GetNext ( )

information about molecule (not implemented)

Get the next molecule

Definition at line 74 of file PDBmolecule.cc.

View newest version in sPHENIX GitHub at line 74 of file PDBmolecule.cc

References fpNext.

Referenced by DetectorConstruction::AtomisticView(), PDBlib::ComputeBoundingVolumeParams(), PDBlib::ComputeMatchEdepDNA(), PDBlib::ComputeNbNucleotidsPerStrand(), and PDBlib::ComputeNucleotideBarycenters().

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void Molecule::SetFirst ( Residue resFirst)

Set the first Residue.

Definition at line 102 of file PDBmolecule.cc.

View newest version in sPHENIX GitHub at line 102 of file PDBmolecule.cc

References fpFirst.

Referenced by PDBlib::Load().

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void Molecule::SetNext ( Molecule moleculeNext)

Set the next Molecule.

Definition at line 95 of file PDBmolecule.cc.

View newest version in sPHENIX GitHub at line 95 of file PDBmolecule.cc

References fpNext.

Referenced by PDBlib::Load().

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Member Data Documentation

int Molecule::fCenterX

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

Definition at line 90 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 90 of file PDBmolecule.hh

Referenced by PDBlib::Load(), and Molecule().

int Molecule::fCenterY

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

Definition at line 91 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 91 of file PDBmolecule.hh

Referenced by PDBlib::Load(), and Molecule().

int Molecule::fCenterZ

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

Definition at line 92 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 92 of file PDBmolecule.hh

Referenced by PDBlib::Load(), and Molecule().

int Molecule::fCopyNumber

Definition at line 72 of file molecule.C.

View newest version in sPHENIX GitHub at line 72 of file molecule.C

int Molecule::fDistCenterMax

dist from center to most away most of the molecule

Definition at line 93 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 93 of file PDBmolecule.hh

Referenced by Molecule().

string Molecule::fMaterial

Definition at line 71 of file molecule.C.

View newest version in sPHENIX GitHub at line 71 of file molecule.C

double Molecule::fMaxGlobX

Definition at line 86 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 86 of file PDBmolecule.hh

Referenced by PDBlib::ComputeBoundingVolumeParams(), PDBlib::Load(), and Molecule().

double Molecule::fMaxGlobY

Definition at line 88 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 88 of file PDBmolecule.hh

Referenced by PDBlib::ComputeBoundingVolumeParams(), PDBlib::Load(), and Molecule().

double Molecule::fMaxGlobZ

Definition at line 84 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 84 of file PDBmolecule.hh

Referenced by PDBlib::ComputeBoundingVolumeParams(), PDBlib::Load(), and Molecule().

double Molecule::fMinGlobX

Definition at line 85 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 85 of file PDBmolecule.hh

Referenced by PDBlib::ComputeBoundingVolumeParams(), PDBlib::Load(), and Molecule().

double Molecule::fMinGlobY

Definition at line 87 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 87 of file PDBmolecule.hh

Referenced by PDBlib::ComputeBoundingVolumeParams(), PDBlib::Load(), and Molecule().

double Molecule::fMinGlobZ

Definition at line 83 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 83 of file PDBmolecule.hh

Referenced by PDBlib::ComputeBoundingVolumeParams(), PDBlib::Load(), and Molecule().

std::string Molecule::fMolName

Molecule name.

Definition at line 80 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 80 of file PDBmolecule.hh

Referenced by Molecule().

int Molecule::fMolNum

Molecule number.

Definition at line 81 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 81 of file PDBmolecule.hh

Referenced by GetID(), and Molecule().

string Molecule::fName

Definition at line 70 of file molecule.C.

View newest version in sPHENIX GitHub at line 70 of file molecule.C

int Molecule::fNbResidue

Number of residue inside the molecule.

Definition at line 94 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 94 of file PDBmolecule.hh

Referenced by PDBlib::Load(), and Molecule().

Residue* Molecule::fpFirst
private

Header of the first Residue (usage before vector)

Definition at line 98 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 98 of file PDBmolecule.hh

Referenced by GetFirst(), Molecule(), and SetFirst().

Molecule* Molecule::fpNext
private

Header of the next Molecule (usage before vector)

Definition at line 97 of file PDBmolecule.hh.

View newest version in sPHENIX GitHub at line 97 of file PDBmolecule.hh

Referenced by GetNext(), Molecule(), and SetNext().

ThreeVector<double> Molecule::fPosition

Definition at line 75 of file molecule.C.

View newest version in sPHENIX GitHub at line 75 of file molecule.C

double Molecule::fRadius

Definition at line 77 of file molecule.C.

View newest version in sPHENIX GitHub at line 77 of file molecule.C

double Molecule::fRadiusWater

Definition at line 78 of file molecule.C.

View newest version in sPHENIX GitHub at line 78 of file molecule.C

int Molecule::fStrand

Definition at line 73 of file molecule.C.

View newest version in sPHENIX GitHub at line 73 of file molecule.C


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