20 |
|
Bond** myBonds; // arrays of all the short range interactions |
21 |
|
Bend** myBends; |
22 |
|
Torsion** myTorsions; |
23 |
< |
RigidBody** myRigidBodies; |
23 |
> |
vector<RigidBody*> myRigidBodies; |
24 |
> |
vector<StuntDouble*> myIntegrableObjects; |
25 |
|
} molInit; |
26 |
|
|
27 |
|
class Molecule{ |
43 |
|
int getNBonds ( void ) {return nBonds;} |
44 |
|
int getNBends ( void ) {return nBends;} |
45 |
|
int getNTorsions( void ) {return nTorsions;} |
46 |
< |
int getNRigidBodies( void ) {return nRigidBodies;} |
46 |
> |
int getNRigidBodies( void ) {return myRigidBodies.size();} |
47 |
|
int getNOriented( void ) {return nOriented;} |
48 |
|
int getNMembers ( void ) {return nMembers;} |
49 |
|
int getStampID ( void ) {return stampID;} |
52 |
|
Bond** getMyBonds ( void ) {return myBonds;} |
53 |
|
Bend** getMyBends ( void ) {return myBends;} |
54 |
|
Torsion** getMyTorsions( void ) {return myTorsions;} |
55 |
< |
RigidBody** getMyRigidBodies( void ) {return myRigidBodies;} |
55 |
> |
vector<RigidBody*> getMyRigidBodies( void ) {return myRigidBodies;} |
56 |
|
|
57 |
|
void setStampID( int info ) {stampID = info;} |
58 |
|
|
86 |
|
Bond** myBonds; // arrays of all the short range interactions |
87 |
|
Bend** myBends; |
88 |
|
Torsion** myTorsions; |
89 |
< |
RigidBody** myRigidBodies; |
90 |
< |
|
89 |
> |
vector<RigidBody*> myRigidBodies; |
90 |
> |
vector<StuntDouble*> myIntegrableObjects; |
91 |
> |
|
92 |
|
}; |
93 |
|
|
94 |
|
#endif |