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gezelter |
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#ifndef __RIGIDBODY_HPP__ |
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#define __RIGIDBODY_HPP__ |
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#include <vector> |
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//#include "Atom.hpp" |
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//#include "AtomStamp.hpp" |
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#include "RigidBodyStamp.hpp" |
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#include "StuntDouble.hpp" |
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using namespace std; |
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class Atom; |
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class AtomStamp; |
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typedef struct { |
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double vec[3]; |
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double& operator[](int index) {return vec[index];} |
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} vec3; |
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typedef struct { |
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double mat[3][3]; |
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double* operator[](int index) {return mat[index];} |
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} mat3x3; |
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class RigidBody : public StuntDouble { |
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public: |
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RigidBody(); |
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virtual ~RigidBody(); |
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void addAtom(Atom* at, AtomStamp* ats); |
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void getPos( double theP[3] ); |
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void setPos( double theP[3] ); |
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void getVel( double theV[3] ); |
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void setVel( double theV[3] ); |
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void getFrc( double theF[3] ); |
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void addFrc( double theF[3] ); |
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void zeroForces(); |
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double getMass( void ) { return mass; } |
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void printAmatIndex( void ); |
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void setEulerAngles( double phi, double theta, double psi ); |
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void getQ( double the_q[4] ); // get the quanternions |
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void setQ( double the_q[4] ); |
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void getA( double the_A[3][3] ); // get the full rotation matrix |
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void setA( double the_A[3][3] ); |
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void getJ( double theJ[3] ); |
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void setJ( double theJ[3] ); |
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void getTrq( double theT[3] ); |
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void addTrq( double theT[3] ); |
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void getI( double the_I[3][3] ); |
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void lab2Body( double r[3] ); |
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void body2Lab( double r[3] ); |
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void calcRefCoords( void ); |
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void doEulerToRotMat(vec3 &euler, mat3x3 &myA ); |
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void calcForcesAndTorques( void ); |
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void updateAtoms( void ); |
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//void yourAtomsHaveMoved( void ); |
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// Four functions added for derivatives with respect to Euler Angles: |
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// (Needed for minimization routines): |
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void getGrad(double gradient[6] ); |
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void getEulerAngles( double myEuler[3] ); |
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double max(double x, double y); |
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double min(double x, double y); |
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// utility routines |
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void findCOM( void ); |
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void findOrient( void ); |
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protected: |
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double mass; // the total mass |
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double pos[3]; // the position array (center of mass) |
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double vel[3]; // the velocity array (center of mass) |
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double frc[3]; // the force array (center of mass) |
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double trq[3]; // the torque vector ( space fixed ) |
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double ji[3]; // the angular momentum vector (body fixed) |
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double A[3][3]; // the rotation matrix |
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double I[3][3]; // the inertial tensor (body fixed) |
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double sU[3][3]; // the standard unit vectors (body fixed) |
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vector<Atom*> myAtoms; // the vector of atoms |
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vector<vec3> refCoords; |
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vector<mat3x3> refOrients; |
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bool com_good; |
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bool forces_good; |
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bool precalc_done; |
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bool orient_good; |
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}; |
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#endif |
