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#include "fasbond.h" |
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#include "bitvector.h" |
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|
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//constuctor/destructor |
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TFASResidue::TFASResidue() |
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{ |
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Clear(); |
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} |
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|
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TFASResidue::TFASResidue(const unsigned int index) |
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{ |
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Clear(); |
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|
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_index = index; |
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} |
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|
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< |
TFASResidue::TFASResidue(int index, int resid) |
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TFASResidue::TFASResidue(const TFASResidue &residue) |
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{ |
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_index = residue._index; |
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_resid = residue._resid; |
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_model = residue._model; |
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_mol = residue._mol; |
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_atomList = residue._atomList; |
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|
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} |
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TFASResidue::~TFASResidue() |
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{ |
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< |
|
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Clear(); |
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} |
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void TFASResidue::Clear() |
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{ |
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vector<TFASAtom *>::iterator i; |
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TFASAtom *atom; |
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for (atom=BeginAtom(i); atom!=NULL;atom=NextAtom(i)) |
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{ |
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atom->SetResidue(NULL); |
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} |
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|
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_index = -1; |
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_resid = -1; |
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_mol = NULL; |
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_model = NULL; |
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_atomList.clear(); |
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} |
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|
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//overload operator = |
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TFASResidue &TFASResidue::operator =(const TFASResidue &residue) |
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{ |
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if (this != &residue) |
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{ |
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_index = residue._index; |
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_resid = residue._resid; |
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_model = residue._model; |
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_mol = residue._mol; |
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_atomList = residue._atomList; |
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} |
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|
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return *this; |
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} |
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//method to traverse atoms |
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TFASAtom *TFASResidue::BeginAtom(vector<TFASAtom *>::iterator &i) |
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{ |
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i = _atomList.begin(); |
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{ |
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if (!exterior) |
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{ |
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if ((bond->GetNbrAtom(atom))->GetResidue == this) |
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if ((bond->GetNbrAtom(atom))->GetResidue() == this) |
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{ |
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bondList.push_back(bond); |
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} |