| 23 |
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#include "fasbond.h" |
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#include "bitvector.h" |
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|
| 26 |
+ |
//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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|
|
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TFASResidue::~TFASResidue() |
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{ |
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< |
|
| 51 |
> |
Clear(); |
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} |
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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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|
| 63 |
+ |
_index = -1; |
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_resid = -1; |
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+ |
_mol = NULL; |
| 66 |
+ |
_model = NULL; |
| 67 |
+ |
_atomList.clear(); |
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} |
| 69 |
|
|
| 70 |
+ |
//overload operator = |
| 71 |
+ |
TFASResidue &TFASResidue::operator =(const TFASResidue &residue) |
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+ |
{ |
| 73 |
+ |
if (this != &residue) |
| 74 |
+ |
{ |
| 75 |
+ |
_index = residue._index; |
| 76 |
+ |
_resid = residue._resid; |
| 77 |
+ |
_model = residue._model; |
| 78 |
+ |
_mol = residue._mol; |
| 79 |
+ |
_atomList = residue._atomList; |
| 80 |
+ |
} |
| 81 |
+ |
|
| 82 |
+ |
return *this; |
| 83 |
+ |
} |
| 84 |
+ |
//method to traverse atoms |
| 85 |
|
TFASAtom *TFASResidue::BeginAtom(vector<TFASAtom *>::iterator &i) |
| 86 |
|
{ |
| 87 |
|
i = _atomList.begin(); |
| 153 |
|
{ |
| 154 |
|
if (!exterior) |
| 155 |
|
{ |
| 156 |
< |
if ((bond->GetNbrAtom(atom))->GetResidue == this) |
| 156 |
> |
if ((bond->GetNbrAtom(atom))->GetResidue() == this) |
| 157 |
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{ |
| 158 |
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bondList.push_back(bond); |
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} |
