Gabriele Cosmo
104 lines
4.0 KiB
C++
104 lines
4.0 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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/// \file PDBmolecule.hh
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/// \brief Definition of the PDBmolecule class
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// This example is provided by the Geant4-DNA collaboration
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// Any report or published results obtained using the Geant4-DNA software
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// shall cite the following Geant4-DNA collaboration publication:
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// Med. Phys. 37 (2010) 4692-4708
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// Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
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// Bank (PDB) description for Geant4-DNA Monte-Carlo
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// simulations (submitted to Comput. Phys. Commun.)
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// The Geant4-DNA web site is available at http://geant4-dna.org
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//
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// --------------------------------------------------------------
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// Authors: E. Delage
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// november 2013
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// --------------------------------------------------------------
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//
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//
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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#ifndef MOLECULE_H
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# define MOLECULE_H
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# include "PDBresidue.hh"
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class Residue;
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//! Molecule Class
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/*!
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* This Class define Molecule model ...
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*/
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class Molecule
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{
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public:
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//! First constructor
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Molecule();
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//! Second constructor
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Molecule(const std::string& resName, int mNum);
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//! Destructor
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~Molecule() {};
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//! information about molecule (not implemented)
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// void PrintInfo();
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//! Get the next molecule
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Molecule* GetNext();
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//! Get the first Residue
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Residue* GetFirst();
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//! Get number Molecule
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int GetID();
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//! Set the next Molecule
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void SetNext(Molecule*);
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//! Set the first Residue
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void SetFirst(Residue*);
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std::string fMolName; //!< Molecule name
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int fMolNum; //!< Molecule number
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double fMinGlobZ; // Cylinder length => min Z
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double fMaxGlobZ;
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double fMinGlobX; // Radius => min X
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double fMaxGlobX;
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double fMinGlobY; //=> min Y
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double fMaxGlobY;
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int fCenterX; //!< "X center" of this Molecule (for rotation...)
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int fCenterY; //!< "Y center" of this Molecule (for rotation...)
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int fCenterZ; //!< "Z center" of this Molecule (for rotation...)
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int fDistCenterMax; //!< dist from center to most away most of the molecule
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int fNbResidue; //!< Number of residue inside the molecule
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private:
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Molecule* fpNext; //!< Header of the next Molecule (usage before vector)
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Residue* fpFirst; //!< Header of the first Residue (usage before vector)
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};
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#endif
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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