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1 //
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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 //
41 /// \file PDBresidue.hh
42 /// \brief Definition of the PDBresidue class
43
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45
46 #ifndef RESIDUE_H
47 # define RESIDUE_H
48
49 # include "PDBatom.hh"
50
51 class Atom;
52
53 //! Residue Class
54 /*!
55 * This Class define residue model ...
56 */
57 class Residue
58 {
59 public:
60 //! Constructor
61 Residue();
62 //! Second constructor
63 Residue(const std::string& resName, int resSeq);
64 //! Destructor
65 ~Residue() {};
66
67 //! information about molecule (not implemented)
68 void Affiche();
69 //! Get the next residue
70 Residue* GetNext();
71 //! Get the first atom
72 Atom* GetFirst();
73 //! Get the number of the residue
74 int GetID();
75 //! Set the next residue
76 void SetNext(Residue*);
77 //! Set the first Atom of the residue
78 void SetFirst(Atom*);
79
80 std::string fResName; //!< Residue name
81 int fResSeq; //!< Residue sequence number
82 bool fVisible; //!< Whether Residue is visible or not
83 bool fSelected; //!< Whether Residue is selected (Highlight) or not
84 int fCenterX;
85 int fCenterY;
86 int fCenterZ;
87 int fNbAtom; //!< Number of atoms into a residue (usage before vector)
88
89 private:
90 //! Residue header for next residue (usage before vector)
91 Residue* fpNext;
92 //! Atom header for first atom of residue (usage before vector)
93 Atom* fpFirst;
94 };
95
96 #endif
97
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99