pdb4dna/include/PDBresidue.hh

0001 //
0002 // ********************************************************************
0003 // * License and Disclaimer                                           *
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0017 // *                                                                  *
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0024 // ********************************************************************
0025 //
0026 // This example is provided by the Geant4-DNA collaboration
0027 // Any report or published results obtained using the Geant4-DNA software
0028 // shall cite the following Geant4-DNA collaboration publication:
0029 // Med. Phys. 37 (2010) 4692-4708
0030 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
0031 //                  Bank (PDB) description for Geant4-DNA Monte-Carlo
0032 //                  simulations (submitted to Comput. Phys. Commun.)
0033 // The Geant4-DNA web site is available at http://geant4-dna.org
0034 //
0035 // --------------------------------------------------------------
0036 // Authors: E. Delage
0037 // november 2013
0038 // --------------------------------------------------------------
0039 //
0040 //
0041 /// \file PDBresidue.hh
0042 /// \brief Definition of the PDBresidue class
0043
0044 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0045
0046 #ifndef RESIDUE_H
0047 #  define RESIDUE_H
0048
0049 #  include "PDBatom.hh"
0050
0051 class Atom;
0052
0053 //! Residue Class
0054 /*!
0055  * This Class define residue model ...
0056  */
0057 class Residue
0058 {
0059   public:
0060     //! Constructor
0061     Residue();
0062     //! Second constructor
0063     Residue(const std::string& resName, int resSeq);
0064     //! Destructor
0065     ~Residue() {};
0066
0067     //! information about molecule (not implemented)
0068     void Affiche();
0069     //! Get the next residue
0070     Residue* GetNext();
0071     //! Get the first atom
0072     Atom* GetFirst();
0073     //! Get the number of the residue
0074     int GetID();
0075     //! Set the next residue
0076     void SetNext(Residue*);
0077     //! Set the first Atom of the residue
0078     void SetFirst(Atom*);
0079
0080     std::string fResName;  //!< Residue name
0081     int fResSeq;  //!< Residue sequence number
0082     bool fVisible;  //!< Whether Residue is visible or not
0083     bool fSelected;  //!< Whether Residue is selected (Highlight) or not
0084     int fCenterX;
0085     int fCenterY;
0086     int fCenterZ;
0087     int fNbAtom;  //!< Number of atoms into a residue (usage before vector)
0088
0089   private:
0090     //! Residue header for next residue  (usage before vector)
0091     Residue* fpNext;
0092     //! Atom header for first atom of residue (usage before vector)
0093     Atom* fpFirst;
0094 };
0095
0096 #endif
0097
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