PLightChain.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_LIGHT_CHAIN_H
00021 #define __P_LIGHT_CHAIN_H
00022 
00023 #include "PAtom.h"
00024 #include "PResidue.h"
00025 //@package Main Infrastructure 
00033 class PLightChain {
00034  public:
00035   virtual int size() const=0;
00036   virtual PResidue *getResidue(int index)=0;
00037   virtual PAtom *getAtomAtRes(const string &atomId, int resNum)=0;
00038   virtual void setAtomColorAtRes(const string &atomId, int resNum, GLColor color)=0;
00039   virtual void revertAtomColorAtRes(const string &atomId, int resNum)=0;
00040   virtual const PSpaceManager* getSpaceManager()=0;
00041 
00042   virtual bool InSelfCollision()=0;
00043   virtual bool InSelfCollision(int resIndex1, int resIndex2)=0;
00044   virtual pair<PAtom *, PAtom *> FindSelfCollision()=0;
00045   virtual pair<PAtom *, PAtom *> FindSelfCollision(int resIndex1, int resIndex2)=0;
00046   virtual AtomCollisions* getAllCollidingSelf()=0;
00047   virtual AtomCollisions* getAllCollidingSelf(int resIndex1, int resIndex2)=0;
00048 };
00049 
00050 #endif  // __P_LIGHT_CHAIN_H

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