PBlockConnection.h

Go to the documentation of this file.
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_BLOCK_CONNECTION_H
00021 #define __P_BLOCK_CONNECTION_H
00022 
00031 class PBlockConnection {
00032   public:
00033 
00042   PBlockConnection(const string &definedBlock,
00043                    const string &blockToDefine, 
00044                    const HASH_MAP_STRPAIR_EX(Vector3) &relativePositions,
00045                    const vector<PBlockBondShell> &blockConnections);
00046 
00053   void GenerateNewBlock(PBlock *blockDefined, PBlock *incompleteBlock);
00054 
00058   void BondBlocksTogether(PBlock *blockDefined, PBlock *blockJustDefined); 
00059 
00060 
00064   StringPair getName() const { return make_pair(m_blockDefined->getName(), m_blockToDefine->getName()); } 
00065 
00066   private:
00067 
00068     PBlockShell *m_blockToDefine;
00069     PBlockShell *m_blockDefined;
00070     // will choose random positions depending on how well the coordinate frame is defined
00071     HASH_MAP_STRPAIR_EX(Vector3) m_blockDefinedRelPositions; 
00072     //first is id of atom in block that's already defined, second is id of atom in block to define
00073     vector<PBlockBondShell> m_blockConnections; 
00074 };
00075 
00076 #endif  // __P_BLOCK_CONNECTION_H

Generated on Wed May 16 20:22:07 2007 for LoopTK: Protein Loop Kinematic Toolkit by  doxygen 1.5.1