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