| 87 |
|
return atomType_->isShape(); |
| 88 |
|
} |
| 89 |
|
|
| 90 |
+ |
// below functions are deprecated |
| 91 |
+ |
void setHasDipole( int value ) { has_dipole = value; } |
| 92 |
+ |
int hasDipole( void ) { return has_dipole; } |
| 93 |
+ |
|
| 94 |
+ |
void setHasCharge(int value) {has_charge = value;} |
| 95 |
+ |
int hasCharge(void) {return has_charge;} |
| 96 |
+ |
|
| 97 |
+ |
int getIdent( void ) { return ident; } |
| 98 |
+ |
void setIdent( int info ) { ident = info; } |
| 99 |
+ |
|
| 100 |
|
private: |
| 101 |
|
AtomType* atomType_; |
| 102 |
< |
|
| 102 |
> |
|
| 103 |
> |
//below member variables are deprecated |
| 104 |
> |
int has_dipole; |
| 105 |
> |
int has_charge; |
| 106 |
> |
int ident; |
| 107 |
|
}; |
| 108 |
|
|
| 109 |
|
}//namepace oopse |
