40 |
|
class Atom : public StuntDouble { |
41 |
|
public: |
42 |
|
Atom(AtomType* at); |
43 |
+ |
|
44 |
+ |
virtual void getType() {return atomType_->getName();} |
45 |
+ |
|
46 |
|
/** |
47 |
|
* Returns the inertia tensor of this stuntdouble |
48 |
|
* @return the inertia tensor of this stuntdouble |
77 |
|
bool isDipole() { |
78 |
|
return atomType_->isDipole(); |
79 |
|
} |
80 |
+ |
|
81 |
+ |
bool isQudrapole() { |
82 |
+ |
return atomType_->isQuadrupole(); |
83 |
+ |
} |
84 |
|
|
85 |
+ |
bool isMultipole() { |
86 |
+ |
return atomType_->isMultipole(); |
87 |
+ |
} |
88 |
+ |
|
89 |
|
bool isGayBerne() { |
90 |
|
return atomType_->isGayBerne(); |
91 |
|
} |
98 |
|
return atomType_->isShape(); |
99 |
|
} |
100 |
|
|
101 |
< |
// below functions are deprecated |
102 |
< |
void setHasDipole( int value ) { has_dipole = value; } |
103 |
< |
int hasDipole( void ) { return has_dipole; } |
104 |
< |
|
105 |
< |
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 |
> |
int getIdent() { |
102 |
> |
return atomType_->getIdent(); |
103 |
> |
} |
104 |
> |
|
105 |
> |
protected: |
106 |
|
AtomType* atomType_; |
102 |
– |
|
103 |
– |
//below member variables are deprecated |
104 |
– |
int has_dipole; |
105 |
– |
int has_charge; |
106 |
– |
int ident; |
107 |
|
}; |
108 |
|
|
109 |
|
}//namepace oopse |