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root/OpenMD/branches/development/src/visitors/OtherVisitor.cpp

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trunk/src/visitors/OtherVisitor.cpp (file contents), Revision 413 by tim, Wed Mar 9 17:30:29 2005 UTC vs.
branches/development/src/visitors/OtherVisitor.cpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
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.
#	Line 37 | Line 28
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		#include "selection/SelectionManager.hpp"
42		#include "visitors/OtherVisitor.hpp"
#	Line 44 | Line 44
44		#include "primitives/RigidBody.hpp"
45		#include "primitives/Molecule.hpp"
46		#include "brains/SimInfo.hpp"
47	<	namespace oopse {
47	>	namespace OpenMD {
48
49	<	void WrappingVisitor::visit(Atom *atom) {
50	<	internalVisit(atom);
51	<	}
49	>	void WrappingVisitor::visit(Atom *atom) {
50	>	internalVisit(atom);
51	>	}
52
53	<	void WrappingVisitor::visit(DirectionalAtom *datom) {
54	<	internalVisit(datom);
55	<	}
53	>	void WrappingVisitor::visit(DirectionalAtom *datom) {
54	>	internalVisit(datom);
55	>	}
56
57	<	void WrappingVisitor::visit(RigidBody *rb) {
58	<	internalVisit(rb);
59	<	}
57	>	void WrappingVisitor::visit(RigidBody *rb) {
58	>	internalVisit(rb);
59	>	}
60
61	<	void WrappingVisitor::internalVisit(StuntDouble *sd) {
61	>	void WrappingVisitor::internalVisit(StuntDouble *sd) {
62		GenericData *                     data;
63		AtomData *                        atomData;
64		AtomInfo *                        atomInfo;
#	Line 67 | Line 67 | void WrappingVisitor::internalVisit(StuntDouble *sd) {
67		data = sd->getPropertyByName("ATOMDATA");
68
69		if (data != NULL) {
70	<	atomData = dynamic_cast<AtomData *>(data);
70	>	atomData = dynamic_cast<AtomData *>(data);
71
72	<	if (atomData == NULL)
73	<	return;
72	>	if (atomData == NULL)
73	>	return;
74		} else
75	<	return;
75	>	return;
76
77		Snapshot* currSnapshot = info->getSnapshotManager()->getCurrentSnapshot();
78
79		for( atomInfo = atomData->beginAtomInfo(i); atomInfo; atomInfo = atomData->nextAtomInfo(i) ) {
80	<	currSnapshot->wrapVector(atomInfo->pos);
80	>	Vector3d newPos = atomInfo->pos - origin_;
81	>	currSnapshot->wrapVector(newPos);
82	>	atomInfo->pos = newPos;
83		}
84	<	}
84	>	}
85
86	<	const std::string WrappingVisitor::toString() {
86	>	void WrappingVisitor::update() {
87	>	if (useCom_){
88	>	origin_ = info->getCom();
89	>	}
90	>	}
91	>
92	>	const std::string WrappingVisitor::toString() {
93		char        buffer[65535];
94		std::string result;
95
#	Line 101 | Line 109 | const std::string WrappingVisitor::toString() {
109		result += buffer;
110
111		return result;
112	<	}
112	>	}
113
114	<	//----------------------------------------------------------------------------//
114	>	//----------------------------------------------------------------------------//
115
116	<	ReplicateVisitor::ReplicateVisitor(SimInfo *info, Vector3i opt) :
116	>	ReplicateVisitor::ReplicateVisitor(SimInfo *info, Vector3i opt) :
117		BaseVisitor() {
118	<	this->info = info;
119	<	visitorName = "ReplicateVisitor";
120	<	this->replicateOpt = opt;
118	>	this->info = info;
119	>	visitorName = "ReplicateVisitor";
120	>	this->replicateOpt = opt;
121
122	<	//generate the replicate directions
123	<	for( int i = 0; i <= replicateOpt[0]; i++ ) {
122	>	//generate the replicate directions
123	>	for( int i = 0; i <= replicateOpt[0]; i++ ) {
124		for( int j = 0; j <= replicateOpt[1]; j++ ) {
125	<	for( int k = 0; k <= replicateOpt[2]; k++ ) {
126	<	//skip original frame
127	<	if (i == 0 && j == 0 && k == 0) {
128	<	continue;
129	<	} else {
130	<	dir.push_back(Vector3i(i, j, k));
131	<	}
132	<	}
125	>	for( int k = 0; k <= replicateOpt[2]; k++ ) {
126	>	//skip original frame
127	>	if (i == 0 && j == 0 && k == 0) {
128	>	continue;
129	>	} else {
130	>	dir.push_back(Vector3i(i, j, k));
131	>	}
132	>	}
133		}
134	<	}
134	>	}
135
136	<	}
136	>	}
137
138	<	void ReplicateVisitor::visit(Atom *atom) {
139	<	internalVisit(atom);
140	<	}
138	>	void ReplicateVisitor::visit(Atom *atom) {
139	>	internalVisit(atom);
140	>	}
141
142	<	void ReplicateVisitor::visit(DirectionalAtom *datom) {
143	<	internalVisit(datom);
144	<	}
142	>	void ReplicateVisitor::visit(DirectionalAtom *datom) {
143	>	internalVisit(datom);
144	>	}
145
146	<	void ReplicateVisitor::visit(RigidBody *rb) {
147	<	internalVisit(rb);
148	<	}
146	>	void ReplicateVisitor::visit(RigidBody *rb) {
147	>	internalVisit(rb);
148	>	}
149
150	<	void ReplicateVisitor::internalVisit(StuntDouble *sd) {
150	>	void ReplicateVisitor::internalVisit(StuntDouble *sd) {
151		GenericData *          data;
152		AtomData *             atomData;
153
#	Line 147 | Line 155 | void ReplicateVisitor::internalVisit(StuntDouble *sd)
155		data = sd->getPropertyByName("ATOMDATA");
156
157		if (data != NULL) {
158	<	atomData = dynamic_cast<AtomData *>(data);
158	>	atomData = dynamic_cast<AtomData *>(data);
159
160	<	if (atomData == NULL) {
161	<	return;
162	<	}
160	>	if (atomData == NULL) {
161	>	return;
162	>	}
163		} else {
164	<	return;
164	>	return;
165		}
166
167		Snapshot* currSnapshot = info->getSnapshotManager()->getCurrentSnapshot();
#	Line 162 | Line 170 | void ReplicateVisitor::internalVisit(StuntDouble *sd)
170		std::vector<AtomInfo *> atomInfoList = atomData->getData();
171
172		replicate(atomInfoList, atomData, box);
173	<	}
173	>	}
174
175	<	void ReplicateVisitor::replicate(std::vector<AtomInfo *>&infoList, AtomData *data, const Mat3x3d& box) {
175	>	void ReplicateVisitor::replicate(std::vector<AtomInfo *>&infoList, AtomData *data, const Mat3x3d& box) {
176		AtomInfo* newAtomInfo;
177		std::vector<Vector3i>::iterator dirIter;
178		std::vector<AtomInfo *>::iterator i;
179
180		for( dirIter = dir.begin(); dirIter != dir.end(); ++dirIter ) {
181	<	for( i = infoList.begin(); i != infoList.end(); i++ ) {
182	<	newAtomInfo = new AtomInfo();
183	<	*newAtomInfo = *(*i);
176	<
177	<	for( int j = 0; j < 3; j++ )
178	<	newAtomInfo->pos[j] += (*dirIter)[0]*box(j, 0) + (*dirIter)[1]*box(j, 1) + (*dirIter)[2]*box(j, 2);
181	>	for( i = infoList.begin(); i != infoList.end(); i++ ) {
182	>	newAtomInfo = new AtomInfo();
183	>	*newAtomInfo = *(*i);
184
185	<	data->addAtomInfo(newAtomInfo);
186	<	}
185	>	for( int j = 0; j < 3; j++ )
186	>	newAtomInfo->pos[j] += (*dirIter)[0]*box(j, 0) + (*dirIter)[1]*box(j, 1) + (*dirIter)[2]*box(j, 2);
187	>
188	>	data->addAtomInfo(newAtomInfo);
189	>	}
190		} // end for(dirIter)
191	<	}
191	>	}
192
193	<	const std::string ReplicateVisitor::toString() {
193	>	const std::string ReplicateVisitor::toString() {
194		char                            buffer[65535];
195		std::string                     result;
196		std::set<std::string>::iterator i;
#	Line 213 | Line 221 | const std::string ReplicateVisitor::toString() {
221		result += buffer;
222
223		return result;
224	<	}
224	>	}
225
226	<	//----------------------------------------------------------------------------//
226	>	//------------------------------------------------------------------------//
227
228	<	XYZVisitor::XYZVisitor(SimInfo *info) :
229	<	BaseVisitor(), seleMan(info), evaluator(info){
228	>	XYZVisitor::XYZVisitor(SimInfo *info) : BaseVisitor(), seleMan(info),
229	>	evaluator(info), doPositions_(true),
230	>	doVelocities_(false),
231	>	doForces_(false), doVectors_(false),
232	>	doCharges_(false) {
233		this->info = info;
234		visitorName = "XYZVisitor";
235	<
235	>
236		evaluator.loadScriptString("select all");
237	<
237	>
238		if (!evaluator.isDynamic()) {
239	<	seleMan.setSelectionSet(evaluator.evaluate());
239	>	seleMan.setSelectionSet(evaluator.evaluate());
240		}
241	<
242	<	}
243	<
244	<	XYZVisitor::XYZVisitor(SimInfo *info, const std::string& script) :
245	<	BaseVisitor(), seleMan(info), evaluator(info) {
241	>	}
242	>
243	>	XYZVisitor::XYZVisitor(SimInfo *info, const std::string& script) :
244	>	BaseVisitor(), seleMan(info), evaluator(info), doPositions_(true),
245	>	doVelocities_(false), doForces_(false), doVectors_(false),
246	>	doCharges_(false) {
247	>
248		this->info = info;
249		visitorName = "XYZVisitor";
250	<
250	>
251		evaluator.loadScriptString(script);
252	<
252	>
253		if (!evaluator.isDynamic()) {
254	<	seleMan.setSelectionSet(evaluator.evaluate());
254	>	seleMan.setSelectionSet(evaluator.evaluate());
255		}
256	<
244	<	}
256	>	}
257
258	<	void XYZVisitor::visit(Atom *atom) {
258	>	void XYZVisitor::visit(Atom *atom) {
259		if (isSelected(atom))
260	<	internalVisit(atom);
261	<	}
260	>	internalVisit(atom);
261	>	}
262
263	<	void XYZVisitor::visit(DirectionalAtom *datom) {
263	>	void XYZVisitor::visit(DirectionalAtom *datom) {
264		if (isSelected(datom))
265	<	internalVisit(datom);
266	<	}
267	<
268	<	void XYZVisitor::visit(RigidBody *rb) {
265	>	internalVisit(datom);
266	>	}
267	>
268	>	void XYZVisitor::visit(RigidBody *rb) {
269		if (isSelected(rb))
270	<	internalVisit(rb);
271	<	}
272	<
273	<	void XYZVisitor::update() {
270	>	internalVisit(rb);
271	>	}
272	>
273	>	void XYZVisitor::update() {
274		//if dynamic, we need to re-evaluate the selection
275		if (evaluator.isDynamic()) {
276	<	seleMan.setSelectionSet(evaluator.evaluate());
276	>	seleMan.setSelectionSet(evaluator.evaluate());
277		}
278	<	}
279	<
280	<	void XYZVisitor::internalVisit(StuntDouble *sd) {
278	>	}
279	>
280	>	void XYZVisitor::internalVisit(StuntDouble *sd) {
281		GenericData *                     data;
282		AtomData *                        atomData;
283		AtomInfo *                        atomInfo;
284		std::vector<AtomInfo *>::iterator i;
285		char                              buffer[1024];
286	<
286	>
287		//if there is not atom data, just skip it
288		data = sd->getPropertyByName("ATOMDATA");
289	<
289	>
290		if (data != NULL) {
291	<	atomData = dynamic_cast<AtomData *>(data);
292	<
293	<	if (atomData == NULL)
294	<	return;
291	>	atomData = dynamic_cast<AtomData *>(data);
292	>
293	>	if (atomData == NULL)
294	>	return;
295		} else
296	<	return;
296	>	return;
297
298		for( atomInfo = atomData->beginAtomInfo(i); atomInfo;
299	<	atomInfo = atomData->nextAtomInfo(i) ) {
300	<	sprintf(buffer,
301	<	"%s%15.8f%15.8f%15.8f%15.8f%15.8f%15.8f",
302	<	atomInfo->atomTypeName.c_str(),
303	<	atomInfo->pos[0],
304	<	atomInfo->pos[1],
305	<	atomInfo->pos[2],
306	<	atomInfo->dipole[0],
307	<	atomInfo->dipole[1],
308	<	atomInfo->dipole[2]);
309	<	frame.push_back(buffer);
310	<	}
311	<	}
299	>	atomInfo = atomData->nextAtomInfo(i) ) {
300	>
301	>	std::string line;
302	>	sprintf(buffer, "%s", atomInfo->atomTypeName.c_str());
303	>	line += buffer;
304	>
305	>	if (doPositions_){
306	>	sprintf(buffer, "%15.8f%15.8f%15.8f", atomInfo->pos[0],
307	>	atomInfo->pos[1], atomInfo->pos[2]);
308	>	line += buffer;
309	>	}
310	>	if (doCharges_ && atomInfo->hasCharge) {
311	>	sprintf(buffer, "%15.8f", atomInfo->charge);
312	>	line += buffer;
313	>	}
314	>	if (doVectors_ && atomInfo->hasVector) {
315	>	sprintf(buffer, "%15.8f%15.8f%15.8f", atomInfo->vec[0],
316	>	atomInfo->vec[1], atomInfo->vec[2]);
317	>	line += buffer;
318	>	}
319	>	if (doVelocities_ && atomInfo->hasVelocity) {
320	>	sprintf(buffer, "%15.8f%15.8f%15.8f", atomInfo->vel[0],
321	>	atomInfo->vel[1], atomInfo->vel[2]);
322	>	line += buffer;
323	>	}
324	>	if (doForces_ && atomInfo->hasForce) {
325	>	sprintf(buffer, "%15.8f%15.8f%15.8f", atomInfo->frc[0],
326	>	atomInfo->frc[1], atomInfo->frc[2]);
327	>	line += buffer;
328	>	}
329	>	frame.push_back(line);
330	>	}
331	>	}
332
333	<	bool XYZVisitor::isSelected(StuntDouble *sd) {
333	>	bool XYZVisitor::isSelected(StuntDouble *sd) {
334		return seleMan.isSelected(sd);
335	<	}
335	>	}
336
337	<	void XYZVisitor::writeFrame(std::ostream &outStream) {
337	>	void XYZVisitor::writeFrame(std::ostream &outStream) {
338		std::vector<std::string>::iterator i;
339		char buffer[1024];
340	<
340	>
341		if (frame.size() == 0)
342	<	std::cerr << "Current Frame does not contain any atoms" << std::endl;
343	<
342	>	std::cerr << "Current Frame does not contain any atoms" << std::endl;
343	>
344		//total number of atoms
345		outStream << frame.size() << std::endl;
346	<
346	>
347		//write comment line
348		Snapshot* currSnapshot = info->getSnapshotManager()->getCurrentSnapshot();
349		Mat3x3d box = currSnapshot->getHmat();
#	Line 322 | Line 354 | void XYZVisitor::writeFrame(std::ostream &outStream) {
354		box(0, 0), box(0, 1), box(0, 2),
355		box(1, 0), box(1, 1), box(1, 2),
356		box(2, 0), box(2, 1), box(2, 2));
357	<
357	>
358		outStream << buffer << std::endl;
359	<
359	>
360		for( i = frame.begin(); i != frame.end(); ++i )
361	<	outStream << *i << std::endl;
362	<	}
363	<
364	<	const std::string XYZVisitor::toString() {
361	>	outStream << *i << std::endl;
362	>	}
363	>
364	>	std::string XYZVisitor::trimmedName(const std::string&atomTypeName) {
365	>	return atomTypeName.substr(0, atomTypeName.find('-'));
366	>	}
367	>
368	>	const std::string XYZVisitor::toString() {
369		char        buffer[65535];
370		std::string result;
371	<
371	>
372		sprintf(buffer,
373		"------------------------------------------------------------------\n");
374		result += buffer;
375	<
375	>
376		sprintf(buffer, "Visitor name: %s\n", visitorName.c_str());
377		result += buffer;
378	<
378	>
379		sprintf(buffer,
380		"Visitor Description: assemble the atom data and output xyz file\n");
381		result += buffer;
#	Line 347 | Line 383 | const std::string XYZVisitor::toString() {
383		sprintf(buffer,
384		"------------------------------------------------------------------\n");
385		result += buffer;
386	<
386	>
387		return result;
388	<	}
389	<
390	<	//----------------------------------------------------------------------------//
391	<
392	<	void PrepareVisitor::internalVisit(Atom *atom) {
388	>	}
389	>
390	>	//----------------------------------------------------------------------------//
391	>
392	>	void PrepareVisitor::internalVisit(Atom *atom) {
393		GenericData *data;
394		AtomData *   atomData;
395	<
395	>
396		//if visited property is  existed, remove it
397		data = atom->getPropertyByName("VISITED");
398	<
398	>
399		if (data != NULL) {
400	<	atom->removeProperty("VISITED");
400	>	atom->removeProperty("VISITED");
401		}
402	<
402	>
403		//remove atomdata
404		data = atom->getPropertyByName("ATOMDATA");
405
406		if (data != NULL) {
407	<	atomData = dynamic_cast<AtomData *>(data);
407	>	atomData = dynamic_cast<AtomData *>(data);
408
409	<	if (atomData != NULL)
410	<	atom->removeProperty("ATOMDATA");
409	>	if (atomData != NULL)
410	>	atom->removeProperty("ATOMDATA");
411		}
412	<	}
412	>	}
413
414	<	void PrepareVisitor::internalVisit(RigidBody *rb) {
414	>	void PrepareVisitor::internalVisit(RigidBody *rb) {
415		GenericData* data;
416		AtomData* atomData;
417		std::vector<Atom *> myAtoms;
#	Line 385 | Line 421 | void PrepareVisitor::internalVisit(RigidBody *rb) {
421		data = rb->getPropertyByName("VISITED");
422
423		if (data != NULL) {
424	<	rb->removeProperty("VISITED");
424	>	rb->removeProperty("VISITED");
425		}
426
427		//remove atomdata
428		data = rb->getPropertyByName("ATOMDATA");
429
430		if (data != NULL) {
431	<	atomData = dynamic_cast<AtomData *>(data);
431	>	atomData = dynamic_cast<AtomData *>(data);
432
433	<	if (atomData != NULL)
434	<	rb->removeProperty("ATOMDATA");
433	>	if (atomData != NULL)
434	>	rb->removeProperty("ATOMDATA");
435		}
436
437		myAtoms = rb->getAtoms();
438
439		for( atomIter = myAtoms.begin(); atomIter != myAtoms.end(); ++atomIter )
440	<	internalVisit(*atomIter);
441	<	}
440	>	internalVisit(*atomIter);
441	>	}
442
443	<	const std::string PrepareVisitor::toString() {
444	<	char buffer[65535];
445	<	std::string result;
443	>	const std::string PrepareVisitor::toString() {
444	>	char buffer[65535];
445	>	std::string result;
446
447	<	sprintf(buffer,
448	<	"------------------------------------------------------------------\n");
449	<	result += buffer;
447	>	sprintf(buffer,
448	>	"------------------------------------------------------------------\n");
449	>	result += buffer;
450
451	<	sprintf(buffer, "Visitor name: %s", visitorName.c_str());
452	<	result += buffer;
451	>	sprintf(buffer, "Visitor name: %s", visitorName.c_str());
452	>	result += buffer;
453
454	<	sprintf(buffer,
455	<	"Visitor Description: prepare for operation of other vistors\n");
456	<	result += buffer;
454	>	sprintf(buffer,
455	>	"Visitor Description: prepare for operation of other vistors\n");
456	>	result += buffer;
457
458	<	sprintf(buffer,
459	<	"------------------------------------------------------------------\n");
460	<	result += buffer;
458	>	sprintf(buffer,
459	>	"------------------------------------------------------------------\n");
460	>	result += buffer;
461
462	<	return result;
463	<	}
462	>	return result;
463	>	}
464
465	<	//----------------------------------------------------------------------------//
465	>	//----------------------------------------------------------------------------//
466
467	<	WaterTypeVisitor::WaterTypeVisitor() {
467	>	WaterTypeVisitor::WaterTypeVisitor() {
468		visitorName = "WaterTypeVisitor";
469		waterTypeList.insert("TIP3P_RB_0");
470		waterTypeList.insert("TIP4P_RB_0");
471	+	waterTypeList.insert("TIP4P-Ew_RB_0");
472		waterTypeList.insert("TIP5P_RB_0");
473	+	waterTypeList.insert("TIP5P-E_RB_0");
474		waterTypeList.insert("SPCE_RB_0");
475	<	}
475	>	waterTypeList.insert("SPC_RB_0");
476	>	}
477
478	<	void WaterTypeVisitor::visit(RigidBody *rb) {
478	>	void WaterTypeVisitor::visit(RigidBody *rb) {
479		std::string rbName;
480		std::vector<Atom *> myAtoms;
481		std::vector<Atom *>::iterator atomIter;
#	Line 446 | Line 485 | void WaterTypeVisitor::visit(RigidBody *rb) {
485		std::vector<AtomInfo *>::iterator i;
486
487		rbName = rb->getType();
488	<
488	>
489		if (waterTypeList.find(rbName) != waterTypeList.end()) {
490	<	myAtoms = rb->getAtoms();
490	>	myAtoms = rb->getAtoms();
491
492	<	for( atomIter = myAtoms.begin(); atomIter != myAtoms.end();
493	<	++atomIter ) {
494	<	data = (*atomIter)->getPropertyByName("ATOMDATA");
495	<
496	<	if (data != NULL) {
497	<	atomData = dynamic_cast<AtomData *>(data);
498	<
499	<	if (atomData == NULL)
500	<	continue;
501	<	} else
502	<	continue;
503	<
504	<	for( atomInfo = atomData->beginAtomInfo(i); atomInfo;
505	<	atomInfo = atomData->nextAtomInfo(i) ) {
506	<	atomInfo->atomTypeName = trimmedName(atomInfo->atomTypeName);
507	<	} //end for(atomInfo)
508	<	}     //end for(atomIter)
492	>	for( atomIter = myAtoms.begin(); atomIter != myAtoms.end();
493	>	++atomIter ) {
494	>	data = (*atomIter)->getPropertyByName("ATOMDATA");
495	>
496	>	if (data != NULL) {
497	>	atomData = dynamic_cast<AtomData *>(data);
498	>
499	>	if (atomData == NULL)
500	>	continue;
501	>	} else
502	>	continue;
503	>
504	>	for( atomInfo = atomData->beginAtomInfo(i); atomInfo;
505	>	atomInfo = atomData->nextAtomInfo(i) ) {
506	>	atomInfo->atomTypeName = trimmedName(atomInfo->atomTypeName);
507	>	} //end for(atomInfo)
508	>	}     //end for(atomIter)
509		}         //end if (waterTypeList.find(rbName) != waterTypeList.end())
510	<	}
510	>	}
511
512		std::string WaterTypeVisitor::trimmedName(const std::string&atomTypeName) {
513		return atomTypeName.substr(0, atomTypeName.find('_'));
514		}
515
516	<	const std::string WaterTypeVisitor::toString() {
516	>	const std::string WaterTypeVisitor::toString() {
517		char buffer[65535];
518		std::string result;
519
#	Line 494 | Line 533 | const std::string WaterTypeVisitor::toString() {
533		result += buffer;
534
535		return result;
536	<	}
536	>	}
537
538	<	} //namespace oopse
538	>	} //namespace OpenMD

Comparing:
trunk/src/visitors/OtherVisitor.cpp (property svn:keywords), Revision 413 by tim, Wed Mar 9 17:30:29 2005 UTC vs.
branches/development/src/visitors/OtherVisitor.cpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 0 | Line 1
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