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root/OpenMD/branches/development/src/primitives/StuntDouble.hpp

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trunk/src/primitives/StuntDouble.hpp (file contents), Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
branches/development/src/primitives/StuntDouble.hpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 1 | Line 1
1	<	#ifndef __STUNTDOUBLE_HPP__
2	<	#define __STUNTDOUBLE_HPP__
1	>	/*
2	>	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	>	*
4	>	* The University of Notre Dame grants you ("Licensee") a
5	>	* non-exclusive, royalty free, license to use, modify and
6	>	* redistribute this software in source and binary code form, provided
7	>	* that the following conditions are met:
8	>	*
9	>	* 1. Redistributions of source code must retain the above copyright
10	>	*    notice, this list of conditions and the following disclaimer.
11	>	*
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13	>	*    notice, this list of conditions and the following disclaimer in the
14	>	*    documentation and/or other materials provided with the
15	>	*    distribution.
16	>	*
17	>	* This software is provided "AS IS," without a warranty of any
18	>	* kind. All express or implied conditions, representations and
19	>	* warranties, including any implied warranty of merchantability,
20	>	* fitness for a particular purpose or non-infringement, are hereby
21	>	* excluded.  The University of Notre Dame and its licensors shall not
22	>	* be liable for any damages suffered by licensee as a result of
23	>	* using, modifying or distributing the software or its
24	>	* derivatives. In no event will the University of Notre Dame or its
25	>	* licensors be liable for any lost revenue, profit or data, or for
26	>	* direct, indirect, special, consequential, incidental or punitive
27	>	* damages, however caused and regardless of the theory of liability,
28	>	* arising out of the use of or inability to use software, even if the
29	>	* University of Notre Dame has been advised of the possibility of
30	>	* such damages.
31	>	*
32	>	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	>	* research, please cite the appropriate papers when you publish your
34	>	* work.  Good starting points are:
35	>	*
36	>	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	>	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	>	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	>	* [4]  Vardeman & Gezelter, in progress (2009).
40	>	*/
41	>
42	>	/**
43	>	* @file StuntDouble.hpp
44	>	* @author    tlin
45	>	* @date  10/22/2004
46	>	* @version 1.0
47	>	*/
48	>
49	>	#ifndef PRIMITIVES_STUNTDOUBLE_HPP
50	>	#define PRIMITIVES_STUNTDOUBLE_HPP
51
52	<	#include <map>
5	<	#include "utils/GenericData.hpp"
52	>	#include <vector>
53
54	<	#define OT_ATOM 0
55	<	#define OT_DATOM 1
56	<	#define OT_RIGIDBODY 2
54	>	#include "visitors/BaseVisitor.hpp"
55	>	#include "math/Quaternion.hpp"
56	>	#include "math/SquareMatrix3.hpp"
57	>	#include "math/Vector3.hpp"
58	>	#include "utils/PropertyMap.hpp"
59	>	#include "brains/Snapshot.hpp"
60	>	#include "brains/SnapshotManager.hpp"
61	>	namespace OpenMD{
62
11	–	using namespace std;
12	–	class BaseVisitor;
63
64	<	class StuntDouble {
65	<	public:
66	<	virtual ~StuntDouble();
67	<
68	<	int getObjType();
69	<
70	<	bool isAtom(){
71	<	return objType == OT_ATOM || objType == OT_DATOM;
72	<	}
64	>
65	>	/**
66	>	* @class StuntDouble StuntDouble.hpp "Primitives/StuntDouble.hpp"
67	>	* @brief
68	>	*     "Don't move, or you're dead! Stand up! Captain, we've got them!"
69	>	*
70	>	*     "Spectacular stunt, my friends, but all for naught. Turn around
71	>	*      please. Ha. What a pity. What a pity. So, Princess, you thought
72	>	*      you could outwit the imperious forces of...."
73	>	*
74	>	*     "You idiots! These are not them. You've captured their stunt
75	>	*      doubles! Search the area. Find them! Find them!"
76	>	*
77	>	* StuntDouble is a very strange idea.  A StuntDouble stands in for
78	>	* some object that can be manipulated by the Integrators or
79	>	* Minimizers.  Some of the manipulable objects are Atoms, some are
80	>	* DirectionalAtoms, and some are RigidBodies.  StuntDouble
81	>	* provides an interface for the Integrators and Minimizers to use,
82	>	* and does some preliminary sanity checking so that the program
83	>	* doesn't try to do something stupid like torque an Atom (The
84	>	* quotes above are from Spaceballs...)
85	>	*
86	>	* @note the dynamic data of stuntDouble will be stored outside of the class
87	>	*/
88	>	class StuntDouble{
89	>	public:
90
91	<	bool isDirectionalAtom(){
92	<	return objType == OT_DATOM;
93	<	}
91	>	enum ObjectType{
92	>	otAtom,
93	>	otDAtom,
94	>	otRigidBody
95	>	};
96
97	<	bool isRigidBody(){
98	<	return objType == OT_RIGIDBODY;
99	<	}
97	>	virtual ~StuntDouble();
98	>
99	>	/**
100	>	* Returns the global index of this stuntDouble.
101	>	* @return  the global index of this stuntDouble
102	>	*/
103	>	int getGlobalIndex() {
104	>	return globalIndex_;
105	>	}
106
107	<	bool isDirectional(){
108	<	return isDirectionalAtom() || isRigidBody();
109	<	}
107	>	/**
108	>	* Sets the global index of this stuntDouble.
109	>	* @param new global index to be set
110	>	*/
111	>	void setGlobalIndex(int index) {
112	>	globalIndex_ = index;
113	>	}
114	>
115	>	/**
116	>	* Returns the local index of this stuntDouble
117	>	* @return the local index of this stuntDouble
118	>	*/
119	>	int getLocalIndex() {
120	>	return localIndex_;
121	>	}
122
123	<	virtual double getMass(void);
124	<
125	<	virtual void   getPos(double pos[3]);
126	<	virtual void   setPos(double pos[3]);
127	<
128	<	virtual void   getVel(double vel[3]);
129	<	virtual void   setVel(double vel[3]);
130	<
131	<	virtual void   getFrc(double frc[3]);
132	<	virtual void   addFrc(double frc[3]);
123	>	/**
124	>	* Sets the local index of this stuntDouble
125	>	* @param index new index to be set
126	>	*/
127	>	void setLocalIndex(int index) {
128	>	localIndex_ = index;
129	>	}
130	>
131	>	int getGlobalIntegrableObjectIndex(){
132	>	return globalIntegrableObjectIndex_;
133	>	}
134	>	void setGlobalIntegrableObjectIndex(int index) {
135	>	globalIntegrableObjectIndex_ = index;
136	>	}
137
138	<	virtual void   getA(double A[3][3]);
139	<	virtual void   setA(double A[3][3]);
138	>	/**
139	>	* Sets the Snapshot Manager of this stuntDouble
140	>	*/
141	>	void setSnapshotManager(SnapshotManager* sman) {
142	>	snapshotMan_ = sman;
143	>	}
144
145	<	virtual void   getJ(double j[3]);
146	<	virtual void   setJ(double j[3]);
145	>	/**
146	>	* Tests if this stuntDouble is an atom
147	>	* @return true is this stuntDouble is an atom(or a directional atom), return false otherwise
148	>	*/
149	>	bool isAtom(){
150	>	return objType_ == otAtom || objType_ == otDAtom;
151	>	}
152
153	<	virtual void getQ( double q[4] ); // get the quanternions
154	<	virtual void setQ( double q[4] );
153	>	/**
154	>	* Tests if this stuntDouble is an directional atom
155	>	* @return true if this stuntDouble is an directional atom, return false otherwise
156	>	*/
157	>	bool isDirectionalAtom(){
158	>	return objType_ == otDAtom;
159	>	}
160
161	<	virtual void setType(char* type) = 0;
162	<	virtual char* getType() = 0;
163	<
161	>	/**
162	>	* Tests if this stuntDouble is a rigid body.
163	>	* @return true if this stuntDouble is a rigid body, otherwise return false
164	>	*/
165	>	bool isRigidBody(){
166	>	return objType_ == otRigidBody;
167	>	}
168
169	<	virtual void   getTrq(double trq[3]);
170	<	virtual void   addTrq(double trq[3]);
169	>	/**
170	>	* Tests if this stuntDouble is a directional one.
171	>	* @return true is this stuntDouble is a directional atom or a rigid body, return false otherwise
172	>	*/
173	>	bool isDirectional(){
174	>	return isDirectionalAtom() || isRigidBody();
175	>	}
176
177	<	virtual void   getI(double I[3][3]);
178	<	virtual void   lab2Body(double vec[3]);
177	>	/**
178	>	* Freezes out all velocity, angular velocity, forces and torques
179	>	* on this StuntDouble.  Also computes the number of frozen degrees
180	>	* of freedom.
181	>	* @return the total number of frozen degrees of freedom
182	>	*/
183	>	int freeze() {
184	>
185	>	int fdf = 3;
186
187	<	virtual void   getGrad(double grad[6]);
188	<	virtual void   setEuler(double phi, double theta, double psi);
189	<	virtual void   getEulerAngles(double eulers[3]);
187	>	setVel(V3Zero);
188	>	setFrc(V3Zero);
189	>	if (isDirectional()){
190	>	setJ(V3Zero);
191	>	setTrq(V3Zero);
192	>	if (isLinear())
193	>	fdf +=2;
194	>	else
195	>	fdf +=3;
196	>	}
197	>	return fdf;
198	>	}
199
200	<	virtual bool isLinear() {return false;}
201	<	virtual int linearAxis() {return -1;}
200	>	/**
201	>	* Returns the previous position of this stuntDouble
202	>	* @return the position of this stuntDouble
203	>	*/
204	>	Vector3d getPrevPos() {
205	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).position[localIndex_];
206	>	}
207	>
208	>	/**
209	>	* Returns the current position of this stuntDouble
210	>	* @return the position of this stuntDouble
211	>	*/
212	>	Vector3d getPos() {
213	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_];
214	>	}
215
216	<	virtual double   getZangle();
217	<	virtual void   setZangle(double zAngle);
218	<	virtual void   addZangle(double zAngle);
216	>	/**
217	>	* Returns the position of this stuntDouble in specified snapshot
218	>	* @return the position of this stuntDouble
219	>	* @param snapshotNo
220	>	*/
221	>	Vector3d getPos(int snapshotNo) {
222	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).position[localIndex_];
223	>	}
224
225	<	virtual void accept(BaseVisitor* v) = 0;
226	<
227	<	void addProperty(GenericData* data);
228	<	void removeProperty(const string& propName);
229	<	GenericData* getProperty(const string& propName);
230	<
231	<	protected:
232	<	StuntDouble(){}
233	<
234	<	//prevent default copy constructor copy information from properties which will cause problem
235	<	StuntDouble(const StuntDouble& sd){
236	<	objType = sd.objType;
237	<	}
238	<
239	<	int objType;
240	<
241	<	map<string, GenericData*> properties;
242	<	};
225	>	/**
226	>	* Sets  the previous position of this stuntDouble
227	>	* @param pos  new position
228	>	* @see #getPos
229	>	*/
230	>	void setPrevPos(const Vector3d& pos) {
231	>	((snapshotMan_->getPrevSnapshot())->*storage_).position[localIndex_] = pos;
232	>	}
233	>
234	>	/**
235	>	* Sets  the current position of this stuntDouble
236	>	* @param pos  new position
237	>	*/
238	>	void setPos(const Vector3d& pos) {
239	>	DataStorage&  data = snapshotMan_->getCurrentSnapshot()->*storage_;
240	>	data.position[localIndex_] = pos;
241	>	//((snapshotMan_->getCurrentSnapshot())->*storage_).position[localIndex_] = pos;
242	>	}
243
244	<	#endif
244	>	/**
245	>	* Sets  the position of this stuntDouble in specified snapshot
246	>	* @param pos position to be set
247	>	* @param snapshotNo
248	>	* @see #getPos
249	>	*/
250	>	void setPos(const Vector3d& pos, int snapshotNo) {
251	>
252	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).position[localIndex_] = pos;
253	>
254	>	}
255	>
256	>	/**
257	>	* Returns the previous velocity of this stuntDouble
258	>	* @return the velocity of this stuntDouble
259	>	*/
260	>	Vector3d getPrevVel() {
261	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).velocity[localIndex_];
262	>	}
263	>
264	>	/**
265	>	* Returns the current velocity of this stuntDouble
266	>	* @return the velocity of this stuntDouble
267	>	*/
268	>	Vector3d getVel() {
269	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).velocity[localIndex_];
270	>	}
271	>
272	>	/**
273	>	* Returns the velocity of this stuntDouble in specified snapshot
274	>	* @return the velocity of this stuntDouble
275	>	* @param snapshotNo
276	>	*/
277	>	Vector3d getVel(int snapshotNo) {
278	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).velocity[localIndex_];
279	>	}
280	>
281	>	/**
282	>	* Sets  the previous velocity of this stuntDouble
283	>	* @param vel  new velocity
284	>	* @see #getVel
285	>	*/
286	>	void setPrevVel(const Vector3d& vel) {
287	>	((snapshotMan_->getPrevSnapshot())->*storage_).velocity[localIndex_] = vel;
288	>	}
289	>
290	>	/**
291	>	* Sets  the current velocity of this stuntDouble
292	>	* @param vel  new velocity
293	>	*/
294	>	void setVel(const Vector3d& vel) {
295	>	((snapshotMan_->getCurrentSnapshot())->*storage_).velocity[localIndex_] = vel;
296	>	}
297	>
298	>	/**
299	>	* Sets  the velocity of this stuntDouble in specified snapshot
300	>	* @param vel velocity to be set
301	>	* @param snapshotNo
302	>	* @see #getVel
303	>	*/
304	>	void setVel(const Vector3d& vel, int snapshotNo) {
305	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).velocity[localIndex_] = vel;
306	>	}
307	>
308	>	/**
309	>	* Returns the previous rotation matrix of this stuntDouble
310	>	* @return the rotation matrix of this stuntDouble
311	>	*/
312	>	RotMat3x3d getPrevA() {
313	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_];
314	>	}
315	>
316	>	/**
317	>	* Returns the current rotation matrix of this stuntDouble
318	>	* @return the rotation matrix of this stuntDouble
319	>	*/
320	>	RotMat3x3d getA() {
321	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_];
322	>	}
323	>
324	>	/**
325	>	* Returns the rotation matrix of this stuntDouble in specified snapshot
326	>	*
327	>	* @return the rotation matrix of this stuntDouble
328	>	* @param snapshotNo
329	>	*/
330	>	RotMat3x3d getA(int snapshotNo) {
331	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_];
332	>	}
333	>
334	>	/**
335	>	* Sets  the previous rotation matrix of this stuntDouble
336	>	* @param a  new rotation matrix
337	>	* @see #getA
338	>	*/
339	>	virtual void setPrevA(const RotMat3x3d& a) {
340	>	((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a;
341	>	}
342	>
343	>	/**
344	>	* Sets  the current rotation matrix of this stuntDouble
345	>	* @param a  new rotation matrix
346	>	*/
347	>	virtual void setA(const RotMat3x3d& a) {
348	>	((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a;
349	>	}
350	>
351	>	/**
352	>	* Sets  the rotation matrix of this stuntDouble in specified snapshot
353	>	* @param a rotation matrix to be set
354	>	* @param snapshotNo
355	>	* @see #getA
356	>	*/
357	>	virtual void setA(const RotMat3x3d& a, int snapshotNo) {
358	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = a;
359	>	}
360	>
361	>	/**
362	>	* Returns the previous angular momentum of this stuntDouble (body-fixed).
363	>	* @return the angular momentum of this stuntDouble
364	>	*/
365	>	Vector3d getPrevJ() {
366	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).angularMomentum[localIndex_];
367	>	}
368	>
369	>	/**
370	>	* Returns the current angular momentum of this stuntDouble (body -fixed).
371	>	* @return the angular momentum of this stuntDouble
372	>	*/
373	>	Vector3d getJ() {
374	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).angularMomentum[localIndex_];
375	>	}
376	>
377	>	/**
378	>	* Returns the angular momentum of this stuntDouble in specified snapshot (body-fixed).
379	>	* @return the angular momentum of this stuntDouble
380	>	* @param snapshotNo
381	>	*/
382	>	Vector3d getJ(int snapshotNo) {
383	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).angularMomentum[localIndex_];
384	>	}
385	>
386	>	/**
387	>	* Sets  the previous angular momentum of this stuntDouble (body-fixed).
388	>	* @param angMom  new angular momentum
389	>	* @see #getJ
390	>	*/
391	>	void setPrevJ(const Vector3d& angMom) {
392	>	((snapshotMan_->getPrevSnapshot())->*storage_).angularMomentum[localIndex_] = angMom;
393	>	}
394	>
395	>	/**
396	>	* Sets  the current angular momentum of this stuntDouble (body-fixed).
397	>	* @param angMom  new angular momentum
398	>	*/
399	>	void setJ(const Vector3d& angMom) {
400	>	((snapshotMan_->getCurrentSnapshot())->*storage_).angularMomentum[localIndex_] = angMom;
401	>	}
402	>
403	>	/**
404	>	* Sets the angular momentum of this stuntDouble in specified snapshot(body-fixed).
405	>	* @param angMom angular momentum to be set
406	>	* @param snapshotNo
407	>	* @see #getJ
408	>	*/
409	>	void setJ(const Vector3d& angMom, int snapshotNo) {
410	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).angularMomentum[localIndex_] = angMom;
411	>	}
412	>
413	>	/**
414	>	* Returns system Center of Mass for stuntDouble frame from snapshot
415	>	*
416	>	*/
417	>	Vector3d getCOM(){
418	>	return (snapshotMan_->getCurrentSnapshot())->getCOM();
419	>	}
420	>
421	>	/**
422	>	* Returns system Center of Mass velocity for stuntDouble frame from snapshot
423	>	*
424	>	*/
425	>
426	>	Vector3d getCOMvel(){
427	>	return (snapshotMan_->getCurrentSnapshot())->getCOMvel();
428	>	}
429	>
430	>	/**
431	>	* Returns system Center of Mass angular momentum for stuntDouble frame from snapshot
432	>	*
433	>	*/
434	>	Vector3d getCOMw(){
435	>	return (snapshotMan_->getCurrentSnapshot())->getCOMw();
436	>	}
437	>
438	>	/**
439	>	* Returns system Center of Mass for stuntDouble frame from snapshot
440	>	*
441	>	*/
442	>	Vector3d getCOM(int snapshotNo){
443	>	return (snapshotMan_->getSnapshot(snapshotNo))->getCOM();
444	>	}
445	>
446	>	/**
447	>	* Returns system Center of Mass velocity for stuntDouble frame from snapshot
448	>	*
449	>	*/
450	>
451	>	Vector3d getCOMvel(int snapshotNo){
452	>	return (snapshotMan_->getSnapshot(snapshotNo))->getCOMvel();
453	>	}
454	>
455	>	/**
456	>	* Returns system Center of Mass angular momentum for stuntDouble frame from snapshot
457	>	*
458	>	*/
459	>	Vector3d getCOMw(int snapshotNo){
460	>	return (snapshotMan_->getSnapshot(snapshotNo))->getCOMw();
461	>	}
462	>
463	>	/**
464	>	* Returns the previous quaternion of this stuntDouble
465	>	* @return the quaternion of this stuntDouble
466	>	*/
467	>	Quat4d getPrevQ() {
468	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_].toQuaternion();
469	>	}
470	>
471	>	/**
472	>	* Returns the current quaternion of this stuntDouble
473	>	* @return the quaternion of this stuntDouble
474	>	*/
475	>	Quat4d getQ() {
476	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_].toQuaternion();
477	>	}
478	>
479	>	/**
480	>	* Returns the quaternion of this stuntDouble in specified snapshot
481	>	* @return the quaternion of this stuntDouble
482	>	* @param snapshotNo
483	>	*/
484	>	Quat4d getQ(int snapshotNo) {
485	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_].toQuaternion();
486	>	}
487	>
488	>	/**
489	>	* Sets  the previous quaternion of this stuntDouble
490	>	* @param q  new quaternion
491	>	* @note actual storage data is rotation matrix
492	>	*/
493	>	void setPrevQ(const Quat4d& q) {
494	>	setPrevA(q);
495	>	}
496	>
497	>	/**
498	>	* Sets  the current quaternion of this stuntDouble
499	>	* @param q  new quaternion
500	>	* @note actual storage data is rotation matrix
501	>	*/
502	>	void setQ(const Quat4d& q) {
503	>	setA(q);
504	>	}
505	>
506	>	/**
507	>	* Sets  the quaternion of this stuntDouble in specified snapshot
508	>	*
509	>	* @param q quaternion to be set
510	>	* @param snapshotNo
511	>	* @note actual storage data is rotation matrix
512	>	*/
513	>	void setQ(const Quat4d& q, int snapshotNo) {
514	>	setA(q, snapshotNo);
515	>	}
516	>
517	>	/**
518	>	* Returns the previous euler angles of this stuntDouble
519	>	* @return the euler angles of this stuntDouble
520	>	*/
521	>	Vector3d getPrevEuler() {
522	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_].toEulerAngles();
523	>	}
524	>
525	>	/**
526	>	* Returns the current euler angles of this stuntDouble
527	>	* @return the euler angles of this stuntDouble
528	>	*/
529	>	Vector3d getEuler() {
530	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_].toEulerAngles();
531	>	}
532	>
533	>	/**
534	>	* Returns the euler angles of this stuntDouble in specified snapshot.
535	>	* @return the euler angles of this stuntDouble
536	>	* @param snapshotNo
537	>	*/
538	>	Vector3d getEuler(int snapshotNo) {
539	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_].toEulerAngles();
540	>	}
541	>
542	>	/**
543	>	* Sets  the previous euler angles of this stuntDouble.
544	>	* @param euler  new euler angles
545	>	* @see #getEuler
546	>	* @note actual storage data is rotation matrix
547	>	*/
548	>	void setPrevEuler(const Vector3d& euler) {
549	>	((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = euler;
550	>	}
551	>
552	>	/**
553	>	* Sets  the current euler angles of this stuntDouble
554	>	* @param euler  new euler angles
555	>	*/
556	>	void setEuler(const Vector3d& euler) {
557	>	((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = euler;
558	>	}
559	>
560	>	/**
561	>	* Sets  the euler angles  of this stuntDouble in specified snapshot
562	>	*
563	>	* @param euler euler angles to be set
564	>	* @param snapshotNo
565	>	* @note actual storage data is rotation matrix
566	>	*/
567	>	void setEuler(const Vector3d& euler, int snapshotNo) {
568	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = euler;
569	>	}
570	>
571	>	/**
572	>	* Returns the previous unit vectors of this stuntDouble
573	>	* @return the unit vectors of this stuntDouble
574	>	*/
575	>	RotMat3x3d getPrevElectroFrame() {
576	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).electroFrame[localIndex_];
577	>	}
578	>
579	>	/**
580	>	* Returns the current unit vectors of this stuntDouble
581	>	* @return the unit vectors of this stuntDouble
582	>	*/
583	>	RotMat3x3d getElectroFrame() {
584	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).electroFrame[localIndex_];
585	>	}
586	>
587	>	/**
588	>	* Returns the unit vectors of this stuntDouble in specified snapshot
589	>	*
590	>	* @return the unit vectors of this stuntDouble
591	>	* @param snapshotNo
592	>	*/
593	>	RotMat3x3d getElectroFrame(int snapshotNo) {
594	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electroFrame[localIndex_];
595	>	}
596	>
597	>	/**
598	>	* Returns the previous force of this stuntDouble
599	>	* @return the force of this stuntDouble
600	>	*/
601	>	Vector3d getPrevFrc() {
602	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_];
603	>	}
604	>
605	>	/**
606	>	* Returns the current force of this stuntDouble
607	>	* @return the force of this stuntDouble
608	>	*/
609	>	Vector3d getFrc() {
610	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_];
611	>	}
612	>
613	>	/**
614	>	* Returns the force of this stuntDouble in specified snapshot
615	>	*
616	>	* @return the force of this stuntDouble
617	>	* @param snapshotNo
618	>	*/
619	>	Vector3d getFrc(int snapshotNo) {
620	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_];
621	>	}
622	>
623	>	/**
624	>	* Sets  the previous force of this stuntDouble
625	>	*
626	>	* @param frc  new force
627	>	* @see #getFrc
628	>	*/
629	>	void setPrevFrc(const Vector3d& frc) {
630	>	((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_] = frc;
631	>	}
632	>
633	>	/**
634	>	* Sets  the current force of this stuntDouble
635	>	* @param frc  new force
636	>	*/
637	>	void setFrc(const Vector3d& frc) {
638	>	((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_] = frc;
639	>	}
640	>
641	>	/**
642	>	* Sets  the force of this stuntDouble in specified snapshot
643	>	*
644	>	* @param frc force to be set
645	>	* @param snapshotNo
646	>	* @see #getFrc
647	>	*/
648	>	void setFrc(const Vector3d& frc, int snapshotNo) {
649	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_] = frc;
650	>	}
651	>
652	>	/**
653	>	* Adds force into the previous force of this stuntDouble
654	>	*
655	>	* @param frc  new force
656	>	* @see #getFrc
657	>	*/
658	>	void addPrevFrc(const Vector3d& frc) {
659	>	((snapshotMan_->getPrevSnapshot())->*storage_).force[localIndex_] += frc;
660	>	}
661	>
662	>	/**
663	>	* Adds force into the current force of this stuntDouble
664	>	* @param frc  new force
665	>	*/
666	>	void addFrc(const Vector3d& frc) {
667	>	((snapshotMan_->getCurrentSnapshot())->*storage_).force[localIndex_] += frc;
668	>	}
669	>
670	>	/**
671	>	* Adds force into the force of this stuntDouble in specified snapshot
672	>	*
673	>	* @param frc force to be set
674	>	* @param snapshotNo
675	>	* @see #getFrc
676	>	*/
677	>	void addFrc(const Vector3d& frc, int snapshotNo) {
678	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).force[localIndex_] += frc;
679	>	}
680	>
681	>	/**
682	>	* Returns the previous torque of this stuntDouble
683	>	* @return the torque of this stuntDouble
684	>	*/
685	>	Vector3d getPrevTrq() {
686	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_];
687	>	}
688	>
689	>	/**
690	>	* Returns the current torque of this stuntDouble
691	>	* @return the torque of this stuntDouble
692	>	*/
693	>	Vector3d getTrq() {
694	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_];
695	>	}
696	>
697	>	/**
698	>	* Returns the torque of this stuntDouble in specified snapshot
699	>	*
700	>	* @return the torque of this stuntDouble
701	>	* @param snapshotNo
702	>	*/
703	>	Vector3d getTrq(int snapshotNo) {
704	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_];
705	>	}
706	>
707	>	/**
708	>	* Sets  the previous torque of this stuntDouble
709	>	*
710	>	* @param trq  new torque
711	>	* @see #getTrq
712	>	*/
713	>	void setPrevTrq(const Vector3d& trq) {
714	>	((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_] = trq;
715	>	}
716	>
717	>	/**
718	>	* Sets  the current torque of this stuntDouble
719	>	* @param trq  new torque
720	>	*/
721	>	void setTrq(const Vector3d& trq) {
722	>	((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_] = trq;
723	>	}
724	>
725	>	/**
726	>	* Sets  the torque of this stuntDouble in specified snapshot
727	>	*
728	>	* @param trq torque to be set
729	>	* @param snapshotNo
730	>	* @see #getTrq
731	>	*/
732	>	void setTrq(const Vector3d& trq, int snapshotNo) {
733	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_] = trq;
734	>	}
735	>
736	>	/**
737	>	* Adds torque into the previous torque of this stuntDouble
738	>	*
739	>	* @param trq  new torque
740	>	* @see #getTrq
741	>	*/
742	>	void addPrevTrq(const Vector3d& trq) {
743	>	((snapshotMan_->getPrevSnapshot())->*storage_).torque[localIndex_] += trq;
744	>	}
745	>
746	>	/**
747	>	* Adds torque into the current torque of this stuntDouble
748	>	* @param trq  new torque
749	>	*/
750	>	void addTrq(const Vector3d& trq) {
751	>	((snapshotMan_->getCurrentSnapshot())->*storage_).torque[localIndex_] += trq;
752	>	}
753	>
754	>	/**
755	>	* Adds torque into the torque of this stuntDouble in specified snapshot
756	>	*
757	>	* @param trq torque to be add
758	>	* @param snapshotNo
759	>	* @see #getTrq
760	>	*/
761	>	void addTrq(const Vector3d& trq, int snapshotNo) {
762	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).torque[localIndex_] += trq;
763	>	}
764	>
765	>
766	>
767	>	/**
768	>	* Returns the previous particlePot of this stuntDouble
769	>	* @return the particlePot of this stuntDouble
770	>	*/
771	>	RealType getPrevParticlePot() {
772	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_];
773	>	}
774	>
775	>	/**
776	>	* Returns the current particlePot of this stuntDouble
777	>	* @return the particlePot of this stuntDouble
778	>	*/
779	>	RealType getParticlePot() {
780	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_];
781	>	}
782	>
783	>	/**
784	>	* Returns the particlePot of this stuntDouble in specified snapshot
785	>	*
786	>	* @return the particlePot of this stuntDouble
787	>	* @param snapshotNo
788	>	*/
789	>	RealType getParticlePot(int snapshotNo) {
790	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_];
791	>	}
792	>
793	>	/**
794	>	* Sets  the previous particlePot of this stuntDouble
795	>	*
796	>	* @param particlePot  new particlePot
797	>	* @see #getParticlePot
798	>	*/
799	>	void setPrevParticlePot(const RealType& particlePot) {
800	>	((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] = particlePot;
801	>	}
802	>
803	>	/**
804	>	* Sets  the current particlePot of this stuntDouble
805	>	* @param particlePot  new particlePot
806	>	*/
807	>	void setParticlePot(const RealType& particlePot) {
808	>	((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_] = particlePot;
809	>	}
810	>
811	>	/**
812	>	* Sets  the particlePot of this stuntDouble in specified snapshot
813	>	*
814	>	* @param particlePot particlePot to be set
815	>	* @param snapshotNo
816	>	* @see #getParticlePot
817	>	*/
818	>	void setParticlePot(const RealType& particlePot, int snapshotNo) {
819	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_] = particlePot;
820	>	}
821	>
822	>	/**
823	>	* Adds particlePot into the previous particlePot of this stuntDouble
824	>	*
825	>	* @param particlePot  new particlePot
826	>	* @see #getParticlePot
827	>	*/
828	>	void addPrevParticlePot(const RealType& particlePot) {
829	>	((snapshotMan_->getPrevSnapshot())->*storage_).particlePot[localIndex_] += particlePot;
830	>	}
831	>
832	>	/**
833	>	* Adds particlePot into the current particlePot of this stuntDouble
834	>	* @param particlePot  new particlePot
835	>	*/
836	>	void addParticlePot(const RealType& particlePot) {
837	>	((snapshotMan_->getCurrentSnapshot())->*storage_).particlePot[localIndex_] += particlePot;
838	>	}
839	>
840	>	/**
841	>	* Adds particlePot into the particlePot of this stuntDouble in specified snapshot
842	>	*
843	>	* @param particlePot particlePot to be add
844	>	* @param snapshotNo
845	>	* @see #getParticlePot
846	>	*/
847	>	void addParticlePot(const RealType& particlePot, int snapshotNo) {
848	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).particlePot[localIndex_] += particlePot;
849	>	}
850	>
851	>
852	>	/**
853	>	* Returns the previous z-angle of this stuntDouble
854	>	* @return the z-angle of this stuntDouble
855	>	*/
856	>	RealType getPrevZangle() {
857	>	return ((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_];
858	>	}
859	>
860	>	/**
861	>	* Returns the current z-angle of this stuntDouble
862	>	* @return the z-angle of this stuntDouble
863	>	*/
864	>	RealType getZangle() {
865	>	return ((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_];
866	>	}
867	>
868	>	/**
869	>	* Returns the z-angle of this stuntDouble in specified snapshot
870	>	* @return the z-angle of this stuntDouble
871	>	* @param snapshotNo
872	>	*/
873	>	RealType getZangle(int snapshotNo) {
874	>	return ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_];
875	>	}
876	>
877	>	/**
878	>	* Sets  the previous z-angle of this stuntDouble
879	>	* @param angle  new z-angle
880	>	* @see #getZangle
881	>	*/
882	>	void setPrevZangle(RealType angle) {
883	>	((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] = angle;
884	>	}
885	>
886	>	/**
887	>	* Sets  the current z-angle of this stuntDouble
888	>	* @param angle  new z-angle
889	>	*/
890	>	void setZangle(RealType angle) {
891	>	((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] = angle;
892	>	}
893	>
894	>	/**
895	>	* Sets  the z-angle of this stuntDouble in specified snapshot
896	>	* @param angle z-angle to be set
897	>	* @param snapshotNo
898	>	* @see #getZangle
899	>	*/
900	>	void setZangle(RealType angle, int snapshotNo) {
901	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] = angle;
902	>	}
903	>
904	>	/**
905	>	* Adds z-angle into the previous z-angle of this stuntDouble
906	>	* @param angle  new z-angle
907	>	* @see #getZangle
908	>	*/
909	>	void addPrevZangle(RealType angle) {
910	>	((snapshotMan_->getPrevSnapshot())->*storage_).zAngle[localIndex_] += angle;
911	>	}
912	>
913	>	/**
914	>	* Adds z-angle into the current z-angle of this stuntDouble
915	>	* @param angle  new z-angle
916	>	*/
917	>	void addZangle(RealType angle) {
918	>	((snapshotMan_->getCurrentSnapshot())->*storage_).zAngle[localIndex_] += angle;
919	>	}
920	>
921	>	/**
922	>	* Adds z-angle into the z-angle of this stuntDouble in specified snapshot
923	>	* @param angle z-angle to be add
924	>	* @param snapshotNo
925	>	* @see #getZangle
926	>	*/
927	>	void addZangle(RealType angle, int snapshotNo) {
928	>	((snapshotMan_->getSnapshot(snapshotNo))->*storage_).zAngle[localIndex_] += angle;
929	>	}
930	>
931	>	/** Set the force of this stuntDouble to zero */
932	>	void zeroForcesAndTorques();
933	>	/**
934	>	* Returns the inertia tensor of this stuntDouble
935	>	* @return the inertia tensor of this stuntDouble
936	>	*/
937	>	virtual Mat3x3d getI() = 0;
938	>
939	>	/**
940	>	* Returns the gradient of this stuntDouble
941	>	* @return the gradient of this stuntDouble
942	>	*/
943	>	virtual std::vector<RealType> getGrad() = 0;
944	>
945	>	/**
946	>	* Tests the  if this stuntDouble is a  linear rigidbody
947	>	*
948	>	* @return true if this stuntDouble is a  linear rigidbody, otherwise return false
949	>	* @note atom and directional atom will always return false
950	>	*
951	>	* @see #linearAxis
952	>	*/
953	>	bool isLinear() {
954	>	return linear_;
955	>	}
956	>
957	>	/**
958	>	* Returns the linear axis of the rigidbody, atom and directional atom will always return -1
959	>	*
960	>	* @return the linear axis of the rigidbody
961	>	*
962	>	* @see #isLinear
963	>	*/
964	>	int linearAxis() {
965	>	return linearAxis_;
966	>	}
967	>
968	>	/** Returns the mass of this stuntDouble */
969	>	RealType getMass() {
970	>	return mass_;
971	>	}
972	>
973	>	/**
974	>	* Sets the mass of this stuntdoulbe
975	>	* @param mass the mass to be set
976	>	*/
977	>	void setMass(RealType mass) {
978	>	mass_ = mass;
979	>	}
980	>
981	>	/** Returns the name of this stuntDouble */
982	>	virtual std::string getType() = 0;
983	>
984	>	/** Sets the name of this stuntDouble*/
985	>	virtual void setType(const std::string& name) {}
986	>
987	>	/**
988	>	* Converts a lab fixed vector to a body fixed vector.
989	>	* @return body fixed vector
990	>	* @param v lab fixed vector
991	>	*/
992	>	Vector3d lab2Body(const Vector3d& v) {
993	>	return getA() * v;
994	>	}
995	>
996	>	Vector3d lab2Body(const Vector3d& v, int frame) {
997	>	return getA(frame) * v;
998	>	}
999	>
1000	>	/**
1001	>	* Converts a body fixed vector to a lab fixed vector.
1002	>	* @return corresponding lab fixed vector
1003	>	* @param v body fixed vector
1004	>	*/
1005	>	Vector3d body2Lab(const Vector3d& v){
1006	>	return getA().transpose() * v;
1007	>	}
1008	>
1009	>	Vector3d body2Lab(const Vector3d& v, int frame){
1010	>	return getA(frame).transpose() * v;
1011	>	}
1012	>
1013	>	/**
1014	>	* <p>
1015	>	* The purpose of the Visitor Pattern is to encapsulate an
1016	>	* operation that you want to perform on the elements of a data
1017	>	* structure. In this way, you can change the operation being
1018	>	* performed on a structure without the need of changing the
1019	>	* classes of the elements that you are operating on. Using a
1020	>	* Visitor pattern allows you to decouple the classes for the data
1021	>	* structure and the algorithms used upon them
1022	>	* </p>
1023	>	* @param v visitor
1024	>	*/
1025	>	virtual void accept(BaseVisitor* v) = 0;
1026	>
1027	>	//below functions are just forward functions
1028	>	/**
1029	>	* Adds property into property map
1030	>	* @param genData GenericData to be added into PropertyMap
1031	>	*/
1032	>	void addProperty(GenericData* genData);
1033	>
1034	>	/**
1035	>	* Removes property from PropertyMap by name
1036	>	* @param propName the name of property to be removed
1037	>	*/
1038	>	void removeProperty(const std::string& propName);
1039	>
1040	>	/**
1041	>	* clear all of the properties
1042	>	*/
1043	>	void clearProperties();
1044	>
1045	>	/**
1046	>	* Returns all names of properties
1047	>	* @return all names of properties
1048	>	*/
1049	>	std::vector<std::string> getPropertyNames();
1050	>
1051	>	/**
1052	>	* Returns all of the properties in PropertyMap
1053	>	* @return all of the properties in PropertyMap
1054	>	*/
1055	>	std::vector<GenericData*> getProperties();
1056	>
1057	>	/**
1058	>	* Returns property
1059	>	* @param propName name of property
1060	>	* @return a pointer point to property with propName. If no property named propName
1061	>	* exists, return NULL
1062	>	*/
1063	>	GenericData* getPropertyByName(const std::string& propName);
1064	>
1065	>	protected:
1066	>
1067	>	StuntDouble(ObjectType objType, DataStoragePointer storage);
1068	>
1069	>	StuntDouble(const StuntDouble& sd);
1070	>	StuntDouble& operator=(const StuntDouble& sd);
1071	>
1072	>	ObjectType objType_;
1073	>	DataStoragePointer storage_;
1074	>	SnapshotManager* snapshotMan_;
1075	>
1076	>	bool linear_;
1077	>	int linearAxis_;
1078	>
1079	>
1080	>	int globalIndex_;
1081	>	int globalIntegrableObjectIndex_;
1082	>	int localIndex_;
1083	>
1084	>
1085	>	RealType mass_;
1086	>
1087	>	private:
1088	>
1089	>	PropertyMap properties_;
1090	>	};
1091	>
1092	>	}//end namespace OpenMD
1093	>	#endif //PRIMITIVES_STUNTDOUBLE_HPP

Comparing:
trunk/src/primitives/StuntDouble.hpp (property svn:keywords), Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
branches/development/src/primitives/StuntDouble.hpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

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