PAtomShell.h

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00001 /*
00002     LoopTK: Protein Loop Kinematic Toolkit
00003     Copyright (C) 2007 Stanford University
00004 
00005     This program is free software; you can redistribute it and/or modify
00006     it under the terms of the GNU General Public License as published by
00007     the Free Software Foundation; either version 2 of the License, or
00008     (at your option) any later version.
00009 
00010     This program is distributed in the hope that it will be useful,
00011     but WITHOUT ANY WARRANTY; without even the implied warranty of
00012     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00013     GNU General Public License for more details.
00014 
00015     You should have received a copy of the GNU General Public License along
00016     with this program; if not, write to the Free Software Foundation, Inc.,
00017     51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
00018 */
00019 
00020 #ifndef __P_ATOM_SHELL_H
00021 #define __P_ATOM_SHELL_H
00022 
00023 #include <string>
00024 using std::string;
00025 
00026 #include <math3d/primitives.h>
00027 #include <GLdraw/GLMaterial.h>
00028 using namespace Math3D;
00029 //@package Main Infrastructure
00037 class PAtomShell {
00038  public:
00039 
00047   PAtomShell(Real covalentRadius, Real vanDerWaalsRadius, const string &name, GLColor color);
00048 
00053   Real getCovalentRadius() const { return m_covalentRadius; }
00054 
00059   Real getVanDerWaalsRadius() const { return m_vanDerWaalsRadius; }
00060 
00065   string getName() const { return m_name; }
00066 
00072   GLColor getColor() const { return m_color; }
00073 
00074  private:
00075   Real m_covalentRadius, m_vanDerWaalsRadius;
00076   string m_name;
00077   GLColor m_color;
00078 };
00079 
00080 #endif  // __P_ATOM_SHELL_H

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