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PDBresidue.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 
45 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
46 
47 #ifndef RESIDUE_H
48 #define RESIDUE_H
49 
50 #include "PDBatom.hh"
51 
52 class Atom;
53 
55 
58 class Residue
59 {
60 public:
62  Residue();
64  Residue(const std::string& resName,int resSeq);
66  ~Residue() {};
67 
69  void Affiche();
71  Residue *GetNext();
73  Atom *GetFirst();
75  int GetID();
77  void SetNext(Residue *);
79  void SetFirst(Atom *);
80 
81  std::string fResName;
82  int fResSeq;
83  bool fVisible;
84  bool fSelected;
85  int fCenterX;
86  int fCenterY;
87  int fCenterZ;
88  int fNbAtom;
89 
90 private:
92  Residue *fpNext;
94  Atom *fpFirst;
95 };
96 
97 #endif
98 
99 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
int fCenterZ
Definition: PDBresidue.hh:87
int fNbAtom
Number of atoms into a residue (usage before vector)
Definition: PDBresidue.hh:88
int fCenterX
Definition: PDBresidue.hh:85
Residue * GetNext()
Get the next residue.
Definition: PDBresidue.cc:67
int GetID()
Get the number of the residue.
Definition: PDBresidue.cc:81
Residue Class.
Definition: PDBresidue.hh:58
std::string fResName
Residue name.
Definition: PDBresidue.hh:81
int fCenterY
Definition: PDBresidue.hh:86
Atom Class.
Definition: PDBatom.hh:56
~Residue()
Destructor.
Definition: PDBresidue.hh:66
bool fVisible
Whether Residue is visible or not.
Definition: PDBresidue.hh:83
void Affiche()
information about molecule (not implemented)
Atom * GetFirst()
Get the first atom.
Definition: PDBresidue.cc:74
void SetNext(Residue *)
Set the next residue.
Definition: PDBresidue.cc:88
Definition of the Atom class.
int fResSeq
Residue sequence number.
Definition: PDBresidue.hh:82
bool fSelected
Whether Residue is selected (Highlight) or not.
Definition: PDBresidue.hh:84
Residue()
Constructor.
Definition: PDBresidue.cc:44
void SetFirst(Atom *)
Set the first Atom of the residue.
Definition: PDBresidue.cc:95