--- trunk/OOPSE/libBASS/RigidBodyStamp.hpp 2004/01/19 16:08:21 957 +++ trunk/OOPSE/libBASS/RigidBodyStamp.hpp 2004/01/26 21:26:40 982 @@ -11,7 +11,7 @@ class RigidBodyStamp{ (public) ~RigidBodyStamp(); void setPosition( double x, double y, double z ); - void setOrientation( double x, double y, double z ); + void setOrientation( double phi, double theta, double psi ); char* assignString( char* lhs, char* rhs ); char* assignDouble( char* lhs, double rhs ); char* assignInt( char* lhs, int rhs ); @@ -19,16 +19,15 @@ class RigidBodyStamp{ (public) char* addAtom( AtomStamp* the_atom, int atomIndex ); - char* getID( void ) { return name; } int getNAtoms( void ) { return n_atoms; } short int havePosition( void ) { return have_position; } short int haveOrientation( void ) { return have_orientation; } double getPosX( void ) { return pos[0]; } double getPosY( void ) { return pos[1]; } double getPosZ( void ) { return pos[2]; } - double getOrntX( void ) { return ornt[0]; } - double getOrntY( void ) { return ornt[1]; } - double getOrntZ( void ) { return ornt[2]; } + double getEulerPhi( void ) { return ornt[0]; } + double getEulerTheta( void ) { return ornt[1]; } + double getEulerPsi( void ) { return ornt[2]; } AtomStamp* getAtom( int index ) { return atoms[index]; } @@ -43,10 +42,9 @@ class RigidBodyStamp{ (public) double ornt[3]; // the orientation vector short int have_orientation; - char name[100]; int n_atoms; - int have_name, have_atoms; + int have_atoms; AtomStamp** atoms;