src/primitives/RigidBody.hpp

#ifndef __RIGIDBODY_HPP__
#define __RIGIDBODY_HPP__

#include <vector>
//#include "primitives/Atom.hpp"
//#include "types/AtomStamp.hpp"
#include "types/RigidBodyStamp.hpp"
#include "primitives/StuntDouble.hpp"
using namespace std;

class Atom;
class AtomStamp;

typedef struct {
  double vec[3];
  double& operator[](int index) {return vec[index];}  
} vec3;

typedef struct {
  double mat[3][3];
  double* operator[](int index) {return mat[index];}  
} mat3x3;

class RigidBody : public StuntDouble {

public:
  
  RigidBody();
  //RigidBody(const RigidBody& rb);
  
  virtual ~RigidBody();
 
  void addAtom(Atom* at, AtomStamp* ats);

  void getPos( double theP[3] );
  void setPos( double theP[3] );

  void getVel( double theV[3] );
  void setVel( double theV[3] );

  void getFrc( double theF[3] );
  void addFrc( double theF[3] );
  void zeroForces();
  
  bool isLinear() {return is_linear;}
  int linearAxis() {return linear_axis;}

  double getMass( void ) { return mass; }

  void printAmatIndex( void );
  void setEuler( double phi, double theta, double psi );
  void getQ( double the_q[4] ); // get the quanternions
  void setQ( double the_q[4] );

  void getA( double the_A[3][3] ); // get the full rotation matrix
  void setA( double the_A[3][3] );

  void getJ( double theJ[3] );
  void setJ( double theJ[3] );

  virtual void setType(char* type) {strcpy(rbName, type);}
  virtual char* getType() { return rbName;}

  void getTrq( double theT[3] );
  void addTrq( double theT[3] );

  void getI( double the_I[3][3] );
  void lab2Body( double r[3] );
  void body2Lab( double r[3] );

  double getZangle( );
  void setZangle( double zAng );
  void addZangle( double zAng );

  void calcRefCoords( void );
  void doEulerToRotMat(vec3 &euler, mat3x3 &myA );
  void calcForcesAndTorques( void );
  void updateAtoms( void );

  //void yourAtomsHaveMoved( void );

  // Four functions added for derivatives with respect to Euler Angles:
  // (Needed for minimization routines):

  void getGrad(double gradient[6] );
  void getEulerAngles( double myEuler[3] ); 
 
  double max(double x, double y);
  double min(double x, double y);


  // utility routines

  void findCOM( void );

  virtual void accept(BaseVisitor* v);

  vector<Atom*> getAtoms() { return myAtoms;}
  int getNumAtoms() {return myAtoms.size();}

  void getAtomPos(double theP[3], int index);
  void getAtomVel(double theV[3], int index);
  void getAtomRefCoor(double pos[3], int index);
protected:

  double mass;     // the total mass
  double pos[3];   // the position array (center of mass)
  double vel[3];   // the velocity array (center of mass)
  double frc[3];   // the force array    (center of mass)
  double trq[3];   // the torque vector  ( space fixed )
  double ji[3];    // the angular momentum vector (body fixed)
  double A[3][3];  // the rotation matrix 
  double I[3][3];  // the inertial tensor (body fixed)
  double sU[3][3]; // the standard unit vectors (body fixed)
  double zAngle;   // the rotation about the z-axis (body fixed)

  bool is_linear;
  int linear_axis;
  double momIntTol;

  vector<Atom*> myAtoms;  // the vector of atoms
  vector<vec3> refCoords;
  vector<mat3x3> refOrients;

  char rbName[100]; //it will eventually be converted into string
};

#endif
Revision:	205
Committed:	Thu Nov 4 16:22:03 2004 UTC (20 years, 11 months ago) by gezelter
File size:	3271 byte(s)
Log Message:	isLinear and linearAxis are virtual in StuntDouble, but are implemented by DirectionalAtom and RigidBody In StuntDouble, they should return false and "-1" but there should be logic to figure them out in the other two classes
#	Content
1	#ifndef __RIGIDBODY_HPP__
2	#define __RIGIDBODY_HPP__
3
4	#include <vector>
5	//#include "primitives/Atom.hpp"
6	//#include "types/AtomStamp.hpp"
7	#include "types/RigidBodyStamp.hpp"
8	#include "primitives/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	//RigidBody(const RigidBody& rb);
30
31	virtual ~RigidBody();
32
33	void addAtom(Atom* at, AtomStamp* ats);
34
35	void getPos( double theP[3] );
36	void setPos( double theP[3] );
37
38	void getVel( double theV[3] );
39	void setVel( double theV[3] );
40
41	void getFrc( double theF[3] );
42	void addFrc( double theF[3] );
43	void zeroForces();
44
45	bool isLinear() {return is_linear;}
46	int linearAxis() {return linear_axis;}
47
48	double getMass( void ) { return mass; }
49
50	void printAmatIndex( void );
51	void setEuler( double phi, double theta, double psi );
52	void getQ( double the_q[4] ); // get the quanternions
53	void setQ( double the_q[4] );
54
55	void getA( double the_A[3][3] ); // get the full rotation matrix
56	void setA( double the_A[3][3] );
57
58	void getJ( double theJ[3] );
59	void setJ( double theJ[3] );
60
61	virtual void setType(char* type) {strcpy(rbName, type);}
62	virtual char* getType() { return rbName;}
63
64	void getTrq( double theT[3] );
65	void addTrq( double theT[3] );
66
67	void getI( double the_I[3][3] );
68	void lab2Body( double r[3] );
69	void body2Lab( double r[3] );
70
71	double getZangle( );
72	void setZangle( double zAng );
73	void addZangle( double zAng );
74
75	void calcRefCoords( void );
76	void doEulerToRotMat(vec3 &euler, mat3x3 &myA );
77	void calcForcesAndTorques( void );
78	void updateAtoms( void );
79
80	//void yourAtomsHaveMoved( void );
81
82	// Four functions added for derivatives with respect to Euler Angles:
83	// (Needed for minimization routines):
84
85	void getGrad(double gradient[6] );
86	void getEulerAngles( double myEuler[3] );
87
88	double max(double x, double y);
89	double min(double x, double y);
90
91
92	// utility routines
93
94	void findCOM( void );
95
96	virtual void accept(BaseVisitor* v);
97
98	vector<Atom*> getAtoms() { return myAtoms;}
99	int getNumAtoms() {return myAtoms.size();}
100
101	void getAtomPos(double theP[3], int index);
102	void getAtomVel(double theV[3], int index);
103	void getAtomRefCoor(double pos[3], int index);
104	protected:
105
106	double mass; // the total mass
107	double pos[3]; // the position array (center of mass)
108	double vel[3]; // the velocity array (center of mass)
109	double frc[3]; // the force array (center of mass)
110	double trq[3]; // the torque vector ( space fixed )
111	double ji[3]; // the angular momentum vector (body fixed)
112	double A[3][3]; // the rotation matrix
113	double I[3][3]; // the inertial tensor (body fixed)
114	double sU[3][3]; // the standard unit vectors (body fixed)
115	double zAngle; // the rotation about the z-axis (body fixed)
116
117	bool is_linear;
118	int linear_axis;
119	double momIntTol;
120
121	vector<Atom*> myAtoms; // the vector of atoms
122	vector<vec3> refCoords;
123	vector<mat3x3> refOrients;
124
125	char rbName[100]; //it will eventually be converted into string
126	};
127
128	#endif