| 11 |
|
~RigidBodyStamp(); |
| 12 |
|
|
| 13 |
|
void setPosition( double x, double y, double z ); |
| 14 |
< |
void setOrientation( double x, double y, double z ); |
| 14 |
> |
void setOrientation( double phi, double theta, double psi ); |
| 15 |
|
char* assignString( char* lhs, char* rhs ); |
| 16 |
|
char* assignDouble( char* lhs, double rhs ); |
| 17 |
|
char* assignInt( char* lhs, int rhs ); |
| 19 |
|
|
| 20 |
|
char* addAtom( AtomStamp* the_atom, int atomIndex ); |
| 21 |
|
|
| 22 |
– |
char* getID( void ) { return name; } |
| 22 |
|
int getNAtoms( void ) { return n_atoms; } |
| 23 |
|
short int havePosition( void ) { return have_position; } |
| 24 |
|
short int haveOrientation( void ) { return have_orientation; } |
| 25 |
|
double getPosX( void ) { return pos[0]; } |
| 26 |
|
double getPosY( void ) { return pos[1]; } |
| 27 |
|
double getPosZ( void ) { return pos[2]; } |
| 28 |
< |
double getOrntX( void ) { return ornt[0]; } |
| 29 |
< |
double getOrntY( void ) { return ornt[1]; } |
| 30 |
< |
double getOrntZ( void ) { return ornt[2]; } |
| 28 |
> |
double getEulerPhi( void ) { return ornt[0]; } |
| 29 |
> |
double getEulerTheta( void ) { return ornt[1]; } |
| 30 |
> |
double getEulerPsi( void ) { return ornt[2]; } |
| 31 |
|
|
| 32 |
|
AtomStamp* getAtom( int index ) { return atoms[index]; } |
| 33 |
|
|
| 42 |
|
double ornt[3]; // the orientation vector |
| 43 |
|
short int have_orientation; |
| 44 |
|
|
| 46 |
– |
char name[100]; |
| 45 |
|
int n_atoms; |
| 46 |
|
|
| 47 |
< |
int have_name, have_atoms; |
| 47 |
> |
int have_atoms; |
| 48 |
|
|
| 49 |
|
AtomStamp** atoms; |
| 50 |
|
|
