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#ifndef FASRESIDUE_H |
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#define FASRESIDUE_H |
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#include <iostream> |
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#include <vector> |
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using namespace std; |
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class TFASModel; |
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class TFASMolecule; |
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class TFASAtom; |
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class TFASBond; |
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class TFASResidue |
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{ |
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protected: |
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unsigned int _index; |
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unsigned int _resid; |
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vector<TFASAtom *> _atomList; |
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TFASMolecule *_mol; |
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TFASModel * _model; |
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public: |
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TFASResidue(); |
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~TFASResidue(); |
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//methods to set residue information |
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void SetIndex(unsigned int index) { _index = index;} |
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void SetResid(unsigned int resid) { _resid = resid;} |
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void SetMol(TFASMolecule *mol) { _mol=mol;} |
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void SetModel(TFASModel *model) { _model=model;} |
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//methods to get residue information |
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unsigned int GetIndex() { return _index;} |
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unsigned int GetResid() { return _resid;} |
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TFASMolecule *GetMol() { return _mol;} |
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TFASModel *GetModel() { return _model;} |
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//methods to manipulate atoms |
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TFASAtom *BeginAtom(vector<TFASAtom *>::iteratorv &i); |
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TFASAtom *NextAtom(vector<TFASAtom *>::iterator &i); |
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void AddAtom(TFASAtom *atom); |
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void DeleteAtom(TFASAtom *atom); |
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//methods to manipulate bonds |
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//vector<TBonds *> GetBonds(bool exterior = , TBondType bondType = ); |
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}; |
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#endif |
