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 |