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/********************************************************************** |
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* Copyright (C) 2002-2003 by Gezelter's Group
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*This program is free software; you can redistribute it and/or modify
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*it under the terms of the GNU General Public License as published by
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*the Free Software Foundation version 2 of the License.
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*
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*This program is distributed in the hope that it will be useful,
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*but WITHOUT ANY WARRANTY; without even the implied warranty of
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*MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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*GNU General Public License for more details.
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*
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************************************************************************ |
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*Author: Teng Lin Email: tlin@nd.edu |
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*Date: 08/13/2002 Version: 1.0 |
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* |
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************************************************************************ |
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*Description: |
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* |
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***********************************************************************/ |
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#ifndef FASMOL_H |
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#define FASMOL_H |
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#include <iostream> |
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#include <vector> |
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#include <string> |
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#include "keylist.h" |
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#include "animation.h" |
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using namespace std; |
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class TFASAtom; |
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class TFASResidue; |
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class TFASBond; |
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class TFASMolecule; |
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class TFASModel : public TAnimation |
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{ |
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protected: |
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string _modelName; |
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unsigned int _natoms; |
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unsigned int _nbonds; |
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unsigned int _nresidues; |
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unsigned int _nmols; |
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vector<TFASAtom *> _atomList; |
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vector<TFASResidue *> _resList; |
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vector<TFASBond *> _bondList; |
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vector<TFASMolecule *> _molList; |
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TNameList _atomNames; |
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TNameList _atomTypes; |
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TNameList _resNames; |
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TNameList _resIds; |
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TNameList _chainNames; |
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TNameList _segNames; |
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public: |
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TFASModel(); |
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~TFASModel(); |
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string GetModelName() { return _modelName;} |
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void SetModelName(string modelName) { _modelName = modelName;} |
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void SetModelName(char * modelName) {_modelName = modelName;} |
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void FindMolecules(); |
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}; |
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#endif |
