11 |
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~RigidBodyStamp(); |
12 |
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13 |
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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 |
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char* assignString( char* lhs, char* rhs ); |
16 |
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char* assignDouble( char* lhs, double rhs ); |
17 |
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char* assignInt( char* lhs, int rhs ); |
19 |
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20 |
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char* addAtom( AtomStamp* the_atom, int atomIndex ); |
21 |
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22 |
– |
char* getID( void ) { return name; } |
22 |
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int getNAtoms( void ) { return n_atoms; } |
23 |
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short int havePosition( void ) { return have_position; } |
24 |
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short int haveOrientation( void ) { return have_orientation; } |
25 |
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double getPosX( void ) { return pos[0]; } |
26 |
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double getPosY( void ) { return pos[1]; } |
27 |
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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 |
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32 |
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AtomStamp* getAtom( int index ) { return atoms[index]; } |
33 |
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42 |
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double ornt[3]; // the orientation vector |
43 |
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short int have_orientation; |
44 |
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46 |
– |
char name[100]; |
45 |
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int n_atoms; |
46 |
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47 |
< |
int have_name, have_atoms; |
47 |
> |
int have_atoms; |
48 |
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49 |
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AtomStamp** atoms; |
50 |
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