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#ifndef __RIGIDBODYSTAMP_H__ |
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#define __RIGIDBODYSTAMP_H__ |
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#include "AtomStamp.hpp" |
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#include "LinkedAssign.hpp" |
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#include "AtomStamp.hpp" |
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class RigidBodyStamp{ |
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public: |
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RigidBodyStamp(); |
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~RigidBodyStamp(); |
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void setPosition( double x, double y, double z ); |
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void setOrientation( double phi, double theta, double psi ); |
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char* assignString( char* lhs, char* rhs ); |
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char* assignDouble( char* lhs, double rhs ); |
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char* assignInt( char* lhs, int rhs ); |
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char* checkMe( void ); |
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char* addAtom( AtomStamp* the_atom, int atomIndex ); |
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int getNAtoms( void ) { return n_atoms; } |
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short int havePosition( void ) { return have_position; } |
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short int haveOrientation( void ) { return have_orientation; } |
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double getPosX( void ) { return pos[0]; } |
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double getPosY( void ) { return pos[1]; } |
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double getPosZ( void ) { return pos[2]; } |
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double getEulerPhi( void ) { return ornt[0]; } |
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double getEulerTheta( void ) { return ornt[1]; } |
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double getEulerPsi( void ) { return ornt[2]; } |
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AtomStamp* getAtom( int index ) { return atoms[index]; } |
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char* addMember( int atomIndex ); |
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int getNMembers( void ) { return n_members; } |
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int getMember( int index ) { return members[index]; } |
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int haveExtras( void ) { return have_extras; } |
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LinkedAssign* getUnhandled( void ) { return unhandled; } |
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LinkedAssign* getExtras( void ) { return unhandled; } |
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static char errMsg[500]; |
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private: |
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double pos[3]; //the position vector |
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short int have_position; // boolean for positions |
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double ornt[3]; // the orientation vector |
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short int have_orientation; |
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int n_atoms; |
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int n_members; |
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int which; |
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short int have_members; |
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int have_atoms; |
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int* members; |
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AtomStamp** atoms; |
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LinkedAssign* unhandled; // the unhandled assignments |
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short int have_extras; |
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}; |
