Geant4  10.01.p01
PDBmolecule.hh
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25 //
26 // This example is provided by the Geant4-DNA collaboration
27 // Any report or published results obtained using the Geant4-DNA software
28 // shall cite the following Geant4-DNA collaboration publication:
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
34 //
35 // --------------------------------------------------------------
36 // Authors: E. Delage
37 // november 2013
38 // --------------------------------------------------------------
39 //
40 // $Id$
41 //
44 
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46 
47 #ifndef MOLECULE_H
48 #define MOLECULE_H
49 
50 #include "PDBresidue.hh"
51 
52 #include <iostream>
53 
54 using namespace std;
55 
56 class Residue;
57 
59 
62 class Molecule
63 {
64 public:
66  Molecule();
68  Molecule(string resName,int mNum);
70  ~Molecule() {};
71 
73  //void PrintInfo();
75  Molecule *GetNext();
77  Residue *GetFirst();
79  int GetID();
81  void SetNext(Molecule *);
83  void SetFirst(Residue *);
84 
85  string fMolName;
86  int fMolNum;
87 
88  double fMinGlobZ; //Cylinder length => min Z
89  double fMaxGlobZ;
90  double fMinGlobX; //Radius => min X
91  double fMaxGlobX;
92  double fMinGlobY; //=> min Y
93  double fMaxGlobY;
94 
95  int fCenterX;
96  int fCenterY;
97  int fCenterZ;
99  int fNbResidue;
100 
101 private:
104 };
105 #endif
106 
107 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
Residue * fpFirst
Header of the first Residue (usage before vector)
Definition: PDBmolecule.hh:103
int fCenterZ
"Z center" of this Molecule (for rotation...)
Definition: PDBmolecule.hh:97
Molecule Class.
Definition: PDBmolecule.hh:62
double fMaxGlobX
Definition: PDBmolecule.hh:91
Residue Class.
Definition: PDBresidue.hh:58
int fCenterX
"X center" of this Molecule (for rotation...)
Definition: PDBmolecule.hh:95
string fMolName
Molecule name.
Definition: PDBmolecule.hh:85
int fDistCenterMax
dist from center to most away most of the molecule
Definition: PDBmolecule.hh:98
int fCenterY
"Y center" of this Molecule (for rotation...)
Definition: PDBmolecule.hh:96
~Molecule()
Destructor.
Definition: PDBmolecule.hh:70
double fMinGlobY
Definition: PDBmolecule.hh:92
double fMaxGlobY
Definition: PDBmolecule.hh:93
double fMinGlobX
Definition: PDBmolecule.hh:90
int fNbResidue
Number of residue inside the molecule.
Definition: PDBmolecule.hh:99
double fMinGlobZ
Definition: PDBmolecule.hh:88
Definition of the PDBresidue class.
double fMaxGlobZ
Definition: PDBmolecule.hh:89
Molecule * fpNext
Header of the next Molecule (usage before vector)
Definition: PDBmolecule.hh:102
int fMolNum
Molecule number.
Definition: PDBmolecule.hh:86