Geant4  10.03
PDBmolecule.cc
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26 // This example is provided by the Geant4-DNA collaboration
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29 // Med. Phys. 37 (2010) 4692-4708
30 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
31 // Bank (PDB) description for Geant4-DNA Monte-Carlo
32 // simulations (submitted to Comput. Phys. Commun.)
33 // The Geant4-DNA web site is available at http://geant4-dna.org
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35 // $Id$
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39 
40 #include "PDBmolecule.hh"
41 
42 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
43 
45 fMolName(""),fMolNum(0),fMinGlobZ(0),fMaxGlobZ(0),
46 fMinGlobX(0),fMaxGlobX(0),fMinGlobY(0),fMaxGlobY(0),
47 fCenterX(0),fCenterY(0),fCenterZ(0),fDistCenterMax(0),fNbResidue(0),
48 fpNext(0),fpFirst(0)
49 {
50 }
51 
52 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
53 
54 Molecule::Molecule(const std::string& mN,int mNum)
55 {
56  fMolName=mN; //Molecule name
57  fMolNum=mNum; //Molecule number
58  fMinGlobZ=0;
59  fMaxGlobZ=0;
60  fMinGlobX=0;
61  fMaxGlobX=0;
62  fMinGlobY=0;
63  fMaxGlobY=0;
64  fCenterX=0;
65  fCenterY=0;
66  fCenterZ=0;
68  fNbResidue=0;
69  fpNext=0;
70  fpFirst=0;
71 }
72 
73 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
74 
76 {
77  return fpNext;
78 }
79 
80 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
81 
83 {
84  return fpFirst;
85 }
86 
87 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
88 
90 {
91  return fMolNum;
92 }
93 
94 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
95 
96 void Molecule::SetNext(Molecule *moleculeNext)
97 {
98  fpNext=moleculeNext;
99 }
100 
101 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
102 
104 {
105  fpFirst=resFirst;
106 }
107 
Residue * fpFirst
Header of the first Residue (usage before vector)
Definition: PDBmolecule.hh:99
int fCenterZ
"Z center" of this Molecule (for rotation...)
Definition: PDBmolecule.hh:93
Molecule Class.
Definition: PDBmolecule.hh:58
double fMaxGlobX
Definition: PDBmolecule.hh:87
void SetNext(Molecule *)
Set the next Molecule.
Definition: PDBmolecule.cc:96
Residue * GetFirst()
Get the first Residue.
Definition: PDBmolecule.cc:82
Residue Class.
Definition: PDBresidue.hh:58
void SetFirst(Residue *)
Set the first Residue.
Definition: PDBmolecule.cc:103
int fCenterX
"X center" of this Molecule (for rotation...)
Definition: PDBmolecule.hh:91
int fDistCenterMax
dist from center to most away most of the molecule
Definition: PDBmolecule.hh:94
int fCenterY
"Y center" of this Molecule (for rotation...)
Definition: PDBmolecule.hh:92
double fMinGlobY
Definition: PDBmolecule.hh:88
double fMaxGlobY
Definition: PDBmolecule.hh:89
double fMinGlobX
Definition: PDBmolecule.hh:86
Molecule * GetNext()
information about molecule (not implemented)
Definition: PDBmolecule.cc:75
Definition of the PDBmolecule class.
std::string fMolName
Molecule name.
Definition: PDBmolecule.hh:81
int fNbResidue
Number of residue inside the molecule.
Definition: PDBmolecule.hh:95
Molecule()
First constructor.
Definition: PDBmolecule.cc:44
double fMinGlobZ
Definition: PDBmolecule.hh:84
int GetID()
Get number Molecule.
Definition: PDBmolecule.cc:89
double fMaxGlobZ
Definition: PDBmolecule.hh:85
Molecule * fpNext
Header of the next Molecule (usage before vector)
Definition: PDBmolecule.hh:98
int fMolNum
Molecule number.
Definition: PDBmolecule.hh:82