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root/OpenMD/branches/development/src/io/DumpReader.cpp

Comparing:
trunk/src/io/DumpReader.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/io/DumpReader.cpp (file contents), Revision 1714 by gezelter, Sat May 19 18:12:46 2012 UTC

#	Line 36 | Line 36
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).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#define _LARGEFILE_SOURCE64
#	Line 341 | Line 342 | namespace OpenMD {
342
343		nTokens = tokenizer.countTokens();
344
345	<	if (nTokens < 2) {
345	>	if (nTokens < 2) {
346		sprintf(painCave.errMsg,
347		"DumpReader Error: Not enough Tokens.\n%s\n", line.c_str());
348		painCave.isFatal = 1;
#	Line 358 | Line 359 | namespace OpenMD {
359		std::string type = tokenizer.nextToken();
360		int size = type.size();
361
362	+	size_t found;
363	+
364	+	if (needPos_) {
365	+	found = type.find("p");
366	+	if (found == std::string::npos) {
367	+	sprintf(painCave.errMsg,
368	+	"DumpReader Error: StuntDouble %d has no Position\n"
369	+	"\tField (\"p\") specified.\n%s\n", index,
370	+	line.c_str());
371	+	painCave.isFatal = 1;
372	+	simError();
373	+	}
374	+	}
375	+
376	+	if (integrableObject->isDirectional()) {
377	+	if (needQuaternion_) {
378	+	found = type.find("q");
379	+	if (found == std::string::npos) {
380	+	sprintf(painCave.errMsg,
381	+	"DumpReader Error: Directional StuntDouble %d has no\n"
382	+	"\tQuaternion Field (\"q\") specified.\n%s\n", index,
383	+	line.c_str());
384	+	painCave.isFatal = 1;
385	+	simError();
386	+	}
387	+	}
388	+	}
389	+
390		for(int i = 0; i < size; ++i) {
391		switch(type[i]) {
392
#	Line 436 | Line 465 | namespace OpenMD {
465		torque[1] = tokenizer.nextTokenAsDouble();
466		torque[2] = tokenizer.nextTokenAsDouble();
467		integrableObject->setTrq(torque);
468	+	break;
469	+	}
470	+	case 'u' : {
471	+
472	+	RealType particlePot;
473	+	particlePot = tokenizer.nextTokenAsDouble();
474	+	integrableObject->setParticlePot(particlePot);
475		break;
476		}
477	+	case 'c' : {
478	+
479	+	RealType flucQPos;
480	+	flucQPos = tokenizer.nextTokenAsDouble();
481	+	integrableObject->setFlucQPos(flucQPos);
482	+	break;
483	+	}
484	+	case 'w' : {
485	+
486	+	RealType flucQVel;
487	+	flucQVel = tokenizer.nextTokenAsDouble();
488	+	integrableObject->setFlucQVel(flucQVel);
489	+	break;
490	+	}
491	+	case 'g' : {
492	+
493	+	RealType flucQFrc;
494	+	flucQFrc = tokenizer.nextTokenAsDouble();
495	+	integrableObject->setFlucQFrc(flucQFrc);
496	+	break;
497	+	}
498	+	case 'e' : {
499	+
500	+	Vector3d eField;
501	+	eField[0] = tokenizer.nextTokenAsDouble();
502	+	eField[1] = tokenizer.nextTokenAsDouble();
503	+	eField[2] = tokenizer.nextTokenAsDouble();
504	+	integrableObject->setElectricField(eField);
505	+	break;
506	+	}
507		default: {
508		sprintf(painCave.errMsg,
509		"DumpReader Error: %s is an unrecognized type\n", type.c_str());

Comparing:
trunk/src/io/DumpReader.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/io/DumpReader.cpp (property svn:keywords), Revision 1714 by gezelter, Sat May 19 18:12:46 2012 UTC

#	Line 0 | Line 1
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