| 1 |
#ifndef __RIGIDBODY_HPP__ |
| 2 |
#define __RIGIDBODY_HPP__ |
| 3 |
|
| 4 |
#include <vector> |
| 5 |
//#include "Atom.hpp" |
| 6 |
//#include "AtomStamp.hpp" |
| 7 |
#include "RigidBodyStamp.hpp" |
| 8 |
#include "StuntDouble.hpp" |
| 9 |
using namespace std; |
| 10 |
|
| 11 |
class Atom; |
| 12 |
class AtomStamp; |
| 13 |
|
| 14 |
typedef struct { |
| 15 |
double vec[3]; |
| 16 |
double& operator[](int index) {return vec[index];} |
| 17 |
} vec3; |
| 18 |
|
| 19 |
typedef struct { |
| 20 |
double mat[3][3]; |
| 21 |
double* operator[](int index) {return mat[index];} |
| 22 |
} mat3x3; |
| 23 |
|
| 24 |
class RigidBody : public StuntDouble { |
| 25 |
|
| 26 |
public: |
| 27 |
|
| 28 |
RigidBody(); |
| 29 |
virtual ~RigidBody(); |
| 30 |
|
| 31 |
void addAtom(Atom* at, AtomStamp* ats); |
| 32 |
|
| 33 |
void getPos( double theP[3] ); |
| 34 |
void setPos( double theP[3] ); |
| 35 |
|
| 36 |
void getVel( double theV[3] ); |
| 37 |
void setVel( double theV[3] ); |
| 38 |
|
| 39 |
void getFrc( double theF[3] ); |
| 40 |
void addFrc( double theF[3] ); |
| 41 |
void zeroForces(); |
| 42 |
|
| 43 |
double getMass( void ) { return mass; } |
| 44 |
|
| 45 |
void printAmatIndex( void ); |
| 46 |
void setEulerAngles( double phi, double theta, double psi ); |
| 47 |
void getQ( double the_q[4] ); // get the quanternions |
| 48 |
void setQ( double the_q[4] ); |
| 49 |
|
| 50 |
void getA( double the_A[3][3] ); // get the full rotation matrix |
| 51 |
void setA( double the_A[3][3] ); |
| 52 |
|
| 53 |
void getJ( double theJ[3] ); |
| 54 |
void setJ( double theJ[3] ); |
| 55 |
|
| 56 |
void getTrq( double theT[3] ); |
| 57 |
void addTrq( double theT[3] ); |
| 58 |
|
| 59 |
void getI( double the_I[3][3] ); |
| 60 |
void lab2Body( double r[3] ); |
| 61 |
void body2Lab( double r[3] ); |
| 62 |
|
| 63 |
void calcRefCoords( void ); |
| 64 |
void doEulerToRotMat(vec3 &euler, mat3x3 &myA ); |
| 65 |
void calcForcesAndTorques( void ); |
| 66 |
void updateAtoms( void ); |
| 67 |
|
| 68 |
//void yourAtomsHaveMoved( void ); |
| 69 |
|
| 70 |
// Four functions added for derivatives with respect to Euler Angles: |
| 71 |
// (Needed for minimization routines): |
| 72 |
|
| 73 |
void getGrad(double gradient[6] ); |
| 74 |
void getEulerAngles( double myEuler[3] ); |
| 75 |
|
| 76 |
double max(double x, double y); |
| 77 |
double min(double x, double y); |
| 78 |
|
| 79 |
|
| 80 |
// utility routines |
| 81 |
|
| 82 |
void findCOM( void ); |
| 83 |
void findOrient( void ); |
| 84 |
|
| 85 |
protected: |
| 86 |
|
| 87 |
double mass; // the total mass |
| 88 |
double pos[3]; // the position array (center of mass) |
| 89 |
double vel[3]; // the velocity array (center of mass) |
| 90 |
double frc[3]; // the force array (center of mass) |
| 91 |
double trq[3]; // the torque vector ( space fixed ) |
| 92 |
double ji[3]; // the angular momentum vector (body fixed) |
| 93 |
double A[3][3]; // the rotation matrix |
| 94 |
double I[3][3]; // the inertial tensor (body fixed) |
| 95 |
double sU[3][3]; // the standard unit vectors (body fixed) |
| 96 |
|
| 97 |
vector<Atom*> myAtoms; // the vector of atoms |
| 98 |
vector<vec3> refCoords; |
| 99 |
vector<mat3x3> refOrients; |
| 100 |
|
| 101 |
bool com_good; |
| 102 |
bool forces_good; |
| 103 |
bool precalc_done; |
| 104 |
bool orient_good; |
| 105 |
}; |
| 106 |
|
| 107 |
#endif |
