[ViewVC] Diff of: OpenMD/trunk/src/brains/SimCreator.cpp

Comparing trunk/src/brains/SimCreator.cpp (file contents):
Revision 1793 by gezelter, Fri Aug 31 21:16:10 2012 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

#	Line 1 \| Line 1
1		/*
2	<	* copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
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
#	Line 35 \| Line 35
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).
38	>	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39		* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40		* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
#	Line 44 \| Line 44
44		* @file SimCreator.cpp
45		* @author tlin
46		* @date 11/03/2004
47	–	* @time 13:51am
47		* @version 1.0
48		*/
49	+
50	+	#ifdef IS_MPI
51	+	#include "mpi.h"
52	+	#include "math/ParallelRandNumGen.hpp"
53	+	#endif
54	+
55		#include <exception>
56		#include <iostream>
57		#include <sstream>
#	Line 59 \| Line 64
64		#include "brains/ForceField.hpp"
65		#include "utils/simError.h"
66		#include "utils/StringUtils.hpp"
67	+	#include "utils/Revision.hpp"
68		#include "math/SeqRandNumGen.hpp"
69		#include "mdParser/MDLexer.hpp"
70		#include "mdParser/MDParser.hpp"
#	Line 84 \| Line 90
90		#include "types/FixedChargeAdapter.hpp"
91		#include "types/FluctuatingChargeAdapter.hpp"
92
87	–	#ifdef IS_MPI
88	–	#include "mpi.h"
89	–	#include "math/ParallelRandNumGen.hpp"
90	–	#endif
93
94		namespace OpenMD {
95
#	Line 102 \| Line 104 \| namespace OpenMD {
104		const int masterNode = 0;
105
106		if (worldRank == masterNode) {
107	<	MPI::COMM_WORLD.Bcast(&mdFileVersion, 1, MPI::INT, masterNode);
107	>	MPI_Bcast(&mdFileVersion, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
108		#endif
109		SimplePreprocessor preprocessor;
110	<	preprocessor.preprocess(rawMetaDataStream, filename, startOfMetaDataBlock,
111	<	ppStream);
110	>	preprocessor.preprocess(rawMetaDataStream, filename,
111	>	startOfMetaDataBlock, ppStream);
112
113		#ifdef IS_MPI
114	<	//brocasting the stream size
114	>	//broadcasting the stream size
115		streamSize = ppStream.str().size() +1;
116	<	MPI::COMM_WORLD.Bcast(&streamSize, 1, MPI::LONG, masterNode);
117	<	MPI::COMM_WORLD.Bcast(static_cast<void>(const_cast<char>(ppStream.str().c_str())),
118	<	streamSize, MPI::CHAR, masterNode);
117	<
116	>	MPI_Bcast(&streamSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
117	>	MPI_Bcast(static_cast<void>(const_cast<char>(ppStream.str().c_str())),
118	>	streamSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);
119		} else {
120
121	<	MPI::COMM_WORLD.Bcast(&mdFileVersion, 1, MPI::INT, masterNode);
121	>	MPI_Bcast(&mdFileVersion, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
122
123		//get stream size
124	<	MPI::COMM_WORLD.Bcast(&streamSize, 1, MPI::LONG, masterNode);
124	<
124	>	MPI_Bcast(&streamSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
125		char* buf = new char[streamSize];
126		assert(buf);
127
128		//receive file content
129	<	MPI::COMM_WORLD.Bcast(buf, streamSize, MPI::CHAR, masterNode);
130	<
129	>	MPI_Bcast(buf, streamSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);
130	>
131		ppStream.str(buf);
132		delete [] buf;
133	–
133		}
134		#endif
135		// Create a scanner that reads from the input stream
#	Line 152 \| Line 151 \| namespace OpenMD {
151		parser.initializeASTFactory(factory);
152		parser.setASTFactory(&factory);
153		parser.mdfile();
155	–
154		// Create a tree parser that reads information into Globals
155		MDTreeParser treeParser;
156		treeParser.initializeASTFactory(factory);
#	Line 255 \| Line 253 \| namespace OpenMD {
253		std::string mdRawData;
254		int metaDataBlockStart = -1;
255		int metaDataBlockEnd = -1;
256	<	int i;
257	<	streamoff mdOffset(0);
256	>	int i, j;
257	>	streamoff mdOffset;
258		int mdFileVersion;
259
260	+	// Create a string for embedding the version information in the MetaData
261	+	std::string version;
262	+	version.assign("## Last run using OpenMD Version: ");
263	+	version.append(OPENMD_VERSION_MAJOR);
264	+	version.append(".");
265	+	version.append(OPENMD_VERSION_MINOR);
266
267	+	std::string svnrev(g_REVISION, strnlen(g_REVISION, 20));
268	+	//convert a macro from compiler to a string in c++
269	+	// STR_DEFINE(svnrev, SVN_REV );
270	+	version.append(" Revision: ");
271	+	// If there's no SVN revision, just call this the RELEASE revision.
272	+	if (!svnrev.empty()) {
273	+	version.append(svnrev);
274	+	} else {
275	+	version.append("RELEASE");
276	+	}
277	+
278		#ifdef IS_MPI
279		const int masterNode = 0;
280		if (worldRank == masterNode) {
#	Line 354 \| Line 369 \| namespace OpenMD {
369
370		mdRawData.clear();
371
372	+	bool foundVersion = false;
373	+
374		for (int i = 0; i < metaDataBlockEnd - metaDataBlockStart - 1; ++i) {
375		mdFile_.getline(buffer, bufferSize);
376	<	mdRawData += buffer;
376	>	std::string line = trimLeftCopy(buffer);
377	>	j = CaseInsensitiveFind(line, "## Last run using OpenMD Version");
378	>	if (static_cast<size_t>(j) != string::npos) {
379	>	foundVersion = true;
380	>	mdRawData += version;
381	>	} else {
382	>	mdRawData += buffer;
383	>	}
384		mdRawData += "\n";
385		}
386	<
386	>
387	>	if (!foundVersion) mdRawData += version + "\n";
388	>
389		mdFile_.close();
390
391		#ifdef IS_MPI
#	Line 487 \| Line 513 \| namespace OpenMD {
513
514		#ifdef IS_MPI
515		void SimCreator::divideMolecules(SimInfo *info) {
490	–	RealType numerator;
491	–	RealType denominator;
492	–	RealType precast;
493	–	RealType x;
494	–	RealType y;
516		RealType a;
496	–	int old_atoms;
497	–	int add_atoms;
498	–	int new_atoms;
499	–	int nTarget;
500	–	int done;
501	–	int i;
502	–	int loops;
503	–	int which_proc;
517		int nProcessors;
518		std::vector<int> atomsPerProc;
519		int nGlobalMols = info->getNGlobalMolecules();
520	<	std::vector<int> molToProcMap(nGlobalMols, -1); // default to an error condition:
520	>	std::vector<int> molToProcMap(nGlobalMols, -1); // default to an
521	>	// error
522	>	// condition:
523
524	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
524	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
525
526		if (nProcessors > nGlobalMols) {
527		sprintf(painCave.errMsg,
#	Line 515 \| Line 530 \| namespace OpenMD {
530		"\tthe number of molecules. This will not result in a \n"
531		"\tusable division of atoms for force decomposition.\n"
532		"\tEither try a smaller number of processors, or run the\n"
533	<	"\tsingle-processor version of OpenMD.\n", nProcessors, nGlobalMols);
533	>	"\tsingle-processor version of OpenMD.\n", nProcessors,
534	>	nGlobalMols);
535
536		painCave.isFatal = 1;
537		simError();
538		}
539
524	–	int seedValue;
540		Globals * simParams = info->getSimParams();
541	<	SeqRandNumGen* myRandom; //divide labor does not need Parallel random number generator
541	>	SeqRandNumGen* myRandom; //divide labor does not need Parallel
542	>	//random number generator
543		if (simParams->haveSeed()) {
544	<	seedValue = simParams->getSeed();
544	>	int seedValue = simParams->getSeed();
545		myRandom = new SeqRandNumGen(seedValue);
546		}else {
547		myRandom = new SeqRandNumGen();
#	Line 538 \| Line 554 \| namespace OpenMD {
554		atomsPerProc.insert(atomsPerProc.end(), nProcessors, 0);
555
556		if (worldRank == 0) {
557	<	numerator = info->getNGlobalAtoms();
558	<	denominator = nProcessors;
559	<	precast = numerator / denominator;
560	<	nTarget = (int)(precast + 0.5);
557	>	RealType numerator = info->getNGlobalAtoms();
558	>	RealType denominator = nProcessors;
559	>	RealType precast = numerator / denominator;
560	>	int nTarget = (int)(precast + 0.5);
561
562	<	for(i = 0; i < nGlobalMols; i++) {
563	<	done = 0;
564	<	loops = 0;
562	>	for(int i = 0; i < nGlobalMols; i++) {
563	>
564	>	int done = 0;
565	>	int loops = 0;
566
567		while (!done) {
568		loops++;
569
570		// Pick a processor at random
571
572	<	which_proc = (int) (myRandom->rand() * nProcessors);
572	>	int which_proc = (int) (myRandom->rand() * nProcessors);
573
574		//get the molecule stamp first
575		int stampId = info->getMoleculeStampId(i);
576		MoleculeStamp * moleculeStamp = info->getMoleculeStamp(stampId);
577
578		// How many atoms does this processor have so far?
579	<	old_atoms = atomsPerProc[which_proc];
580	<	add_atoms = moleculeStamp->getNAtoms();
581	<	new_atoms = old_atoms + add_atoms;
579	>	int old_atoms = atomsPerProc[which_proc];
580	>	int add_atoms = moleculeStamp->getNAtoms();
581	>	int new_atoms = old_atoms + add_atoms;
582
583		// If we've been through this loop too many times, we need
584		// to just give up and assign the molecule to this processor
585		// and be done with it.
586
587		if (loops > 100) {
588	+
589		sprintf(painCave.errMsg,
590	<	"I've tried 100 times to assign molecule %d to a "
591	<	" processor, but can't find a good spot.\n"
592	<	"I'm assigning it at random to processor %d.\n",
590	>	"There have been 100 attempts to assign molecule %d to an\n"
591	>	"\tunderworked processor, but there's no good place to\n"
592	>	"\tleave it. OpenMD is assigning it at random to processor %d.\n",
593		i, which_proc);
594	<
594	>
595		painCave.isFatal = 0;
596	+	painCave.severity = OPENMD_INFO;
597		simError();
598
599		molToProcMap[i] = which_proc;
#	Line 603 \| Line 622 \| namespace OpenMD {
622		// Pacc(x) = exp(- a * x)
623		// where a = penalty / (average atoms per molecule)
624
625	<	x = (RealType)(new_atoms - nTarget);
626	<	y = myRandom->rand();
625	>	RealType x = (RealType)(new_atoms - nTarget);
626	>	RealType y = myRandom->rand();
627
628		if (y < exp(- a * x)) {
629		molToProcMap[i] = which_proc;
#	Line 619 \| Line 638 \| namespace OpenMD {
638		}
639
640		delete myRandom;
641	<
641	>
642		// Spray out this nonsense to all other processors:
624	–
643		MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD);
644	+
645		} else {
646
647		// Listen to your marching orders from processor 0:
629	–
648		MPI_Bcast(&molToProcMap[0], nGlobalMols, MPI_INT, 0, MPI_COMM_WORLD);
649	+
650		}
651
652		info->setMolToProcMap(molToProcMap);
#	Line 674 \| Line 693 \| namespace OpenMD {
693		set<AtomType*>::iterator i;
694		bool hasDirectionalAtoms = false;
695		bool hasFixedCharge = false;
696	<	bool hasMultipoles = false;
696	>	bool hasDipoles = false;
697	>	bool hasQuadrupoles = false;
698		bool hasPolarizable = false;
699		bool hasFluctuatingCharge = false;
700		bool hasMetallic = false;
#	Line 696 \| Line 716 \| namespace OpenMD {
716		if (da.isDirectional()){
717		hasDirectionalAtoms = true;
718		}
719	<	if (ma.isMultipole()){
720	<	hasMultipoles = true;
719	>	if (ma.isDipole()){
720	>	hasDipoles = true;
721		}
722	+	if (ma.isQuadrupole()){
723	+	hasQuadrupoles = true;
724	+	}
725		if (ea.isEAM() \|\| sca.isSuttonChen()){
726		hasMetallic = true;
727		}
#	Line 722 \| Line 745 \| namespace OpenMD {
745		storageLayout \|= DataStorage::dslTorque;
746		}
747		}
748	<	if (hasMultipoles) {
749	<	storageLayout \|= DataStorage::dslElectroFrame;
748	>	if (hasDipoles) {
749	>	storageLayout \|= DataStorage::dslDipole;
750		}
751	+	if (hasQuadrupoles) {
752	+	storageLayout \|= DataStorage::dslQuadrupole;
753	+	}
754		if (hasFixedCharge \|\| hasFluctuatingCharge) {
755		storageLayout \|= DataStorage::dslSkippedCharge;
756		}
#	Line 759 \| Line 785 \| namespace OpenMD {
785		}
786		}
787
788	<	if (simParams->getOutputElectricField()) {
788	>	if (simParams->getOutputElectricField() \| simParams->haveElectricField()) {
789		storageLayout \|= DataStorage::dslElectricField;
790		}
791	+
792	+	if (simParams->getOutputSitePotential() ) {
793	+	storageLayout \|= DataStorage::dslSitePotential;
794	+	}
795	+
796		if (simParams->getOutputFluctuatingCharges()) {
797		storageLayout \|= DataStorage::dslFlucQPosition;
798		storageLayout \|= DataStorage::dslFlucQVelocity;
799		storageLayout \|= DataStorage::dslFlucQForce;
800		}
801
802	+	info->setStorageLayout(storageLayout);
803	+
804		return storageLayout;
805		}
806
#	Line 776 \| Line 809 \| namespace OpenMD {
809		Molecule::AtomIterator ai;
810		Molecule::RigidBodyIterator ri;
811		Molecule::CutoffGroupIterator ci;
812	+	Molecule::BondIterator boi;
813	+	Molecule::BendIterator bei;
814	+	Molecule::TorsionIterator ti;
815	+	Molecule::InversionIterator ii;
816		Molecule::IntegrableObjectIterator ioi;
817	<	Molecule * mol;
818	<	Atom * atom;
819	<	RigidBody * rb;
820	<	CutoffGroup * cg;
817	>	Molecule* mol;
818	>	Atom* atom;
819	>	RigidBody* rb;
820	>	CutoffGroup* cg;
821	>	Bond* bond;
822	>	Bend* bend;
823	>	Torsion* torsion;
824	>	Inversion* inversion;
825		int beginAtomIndex;
826		int beginRigidBodyIndex;
827		int beginCutoffGroupIndex;
828	+	int beginBondIndex;
829	+	int beginBendIndex;
830	+	int beginTorsionIndex;
831	+	int beginInversionIndex;
832		int nGlobalAtoms = info->getNGlobalAtoms();
833	+	int nGlobalRigidBodies = info->getNGlobalRigidBodies();
834
835		beginAtomIndex = 0;
836	<	//rigidbody's index begins right after atom's
836	>	// The rigid body indices begin immediately after the atom indices:
837		beginRigidBodyIndex = info->getNGlobalAtoms();
838		beginCutoffGroupIndex = 0;
839	<
839	>	beginBondIndex = 0;
840	>	beginBendIndex = 0;
841	>	beginTorsionIndex = 0;
842	>	beginInversionIndex = 0;
843	>
844		for(int i = 0; i < info->getNGlobalMolecules(); i++) {
845
846		#ifdef IS_MPI
#	Line 799 \| Line 849 \| namespace OpenMD {
849		// stuff to do if I own this molecule
850		mol = info->getMoleculeByGlobalIndex(i);
851
852	<	//local index(index in DataStorge) of atom is important
853	<	for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
852	>	// The local index(index in DataStorge) of the atom is important:
853	>	for(atom = mol->beginAtom(ai); atom != NULL;
854	>	atom = mol->nextAtom(ai)) {
855		atom->setGlobalIndex(beginAtomIndex++);
856		}
857
#	Line 809 \| Line 860 \| namespace OpenMD {
860		rb->setGlobalIndex(beginRigidBodyIndex++);
861		}
862
863	<	//local index of cutoff group is trivial, it only depends on
864	<	//the order of travesing
863	>	// The local index of other objects only depends on the order
864	>	// of traversal:
865		for(cg = mol->beginCutoffGroup(ci); cg != NULL;
866		cg = mol->nextCutoffGroup(ci)) {
867		cg->setGlobalIndex(beginCutoffGroupIndex++);
868		}
869	+	for(bond = mol->beginBond(boi); bond != NULL;
870	+	bond = mol->nextBond(boi)) {
871	+	bond->setGlobalIndex(beginBondIndex++);
872	+	}
873	+	for(bend = mol->beginBend(bei); bend != NULL;
874	+	bend = mol->nextBend(bei)) {
875	+	bend->setGlobalIndex(beginBendIndex++);
876	+	}
877	+	for(torsion = mol->beginTorsion(ti); torsion != NULL;
878	+	torsion = mol->nextTorsion(ti)) {
879	+	torsion->setGlobalIndex(beginTorsionIndex++);
880	+	}
881	+	for(inversion = mol->beginInversion(ii); inversion != NULL;
882	+	inversion = mol->nextInversion(ii)) {
883	+	inversion->setGlobalIndex(beginInversionIndex++);
884	+	}
885
886		#ifdef IS_MPI
887		} else {
#	Line 827 \| Line 894 \| namespace OpenMD {
894		beginAtomIndex += stamp->getNAtoms();
895		beginRigidBodyIndex += stamp->getNRigidBodies();
896		beginCutoffGroupIndex += stamp->getNCutoffGroups() + stamp->getNFreeAtoms();
897	+	beginBondIndex += stamp->getNBonds();
898	+	beginBendIndex += stamp->getNBends();
899	+	beginTorsionIndex += stamp->getNTorsions();
900	+	beginInversionIndex += stamp->getNInversions();
901		}
902		#endif
903
#	Line 834 \| Line 905 \| namespace OpenMD {
905
906		//fill globalGroupMembership
907		std::vector<int> globalGroupMembership(info->getNGlobalAtoms(), 0);
908	<	for(mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {
909	<	for (cg = mol->beginCutoffGroup(ci); cg != NULL; cg = mol->nextCutoffGroup(ci)) {
910	<
908	>	for(mol = info->beginMolecule(mi); mol != NULL;
909	>	mol = info->nextMolecule(mi)) {
910	>	for (cg = mol->beginCutoffGroup(ci); cg != NULL;
911	>	cg = mol->nextCutoffGroup(ci)) {
912		for(atom = cg->beginAtom(ai); atom != NULL; atom = cg->nextAtom(ai)) {
913		globalGroupMembership[atom->getGlobalIndex()] = cg->getGlobalIndex();
914		}
#	Line 851 \| Line 923 \| namespace OpenMD {
923		// This would be prettier if we could use MPI_IN_PLACE like the MPI-2
924		// docs said we could.
925		std::vector<int> tmpGroupMembership(info->getNGlobalAtoms(), 0);
926	<	MPI_Allreduce(&globalGroupMembership[0], &tmpGroupMembership[0], nGlobalAtoms,
926	>	MPI_Allreduce(&globalGroupMembership[0],
927	>	&tmpGroupMembership[0], nGlobalAtoms,
928		MPI_INT, MPI_SUM, MPI_COMM_WORLD);
929	+
930		info->setGlobalGroupMembership(tmpGroupMembership);
931		#else
932		info->setGlobalGroupMembership(globalGroupMembership);
933		#endif
934
935		//fill molMembership
936	<	std::vector<int> globalMolMembership(info->getNGlobalAtoms(), 0);
936	>	std::vector<int> globalMolMembership(info->getNGlobalAtoms() +
937	>	info->getNGlobalRigidBodies(), 0);
938
939	<	for(mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {
939	>	for(mol = info->beginMolecule(mi); mol != NULL;
940	>	mol = info->nextMolecule(mi)) {
941		for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
942		globalMolMembership[atom->getGlobalIndex()] = mol->getGlobalIndex();
943		}
944	+	for (rb = mol->beginRigidBody(ri); rb != NULL;
945	+	rb = mol->nextRigidBody(ri)) {
946	+	globalMolMembership[rb->getGlobalIndex()] = mol->getGlobalIndex();
947	+	}
948		}
949
950		#ifdef IS_MPI
951	<	std::vector<int> tmpMolMembership(info->getNGlobalAtoms(), 0);
952	<
953	<	MPI_Allreduce(&globalMolMembership[0], &tmpMolMembership[0], nGlobalAtoms,
951	>	std::vector<int> tmpMolMembership(info->getNGlobalAtoms() +
952	>	info->getNGlobalRigidBodies(), 0);
953	>	MPI_Allreduce(&globalMolMembership[0], &tmpMolMembership[0],
954	>	nGlobalAtoms + nGlobalRigidBodies,
955		MPI_INT, MPI_SUM, MPI_COMM_WORLD);
956
957		info->setGlobalMolMembership(tmpMolMembership);
#	Line 882 \| Line 963 \| namespace OpenMD {
963		// here the molecules are listed by their global indices.
964
965		std::vector<int> nIOPerMol(info->getNGlobalMolecules(), 0);
966	<	for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {
966	>	for (mol = info->beginMolecule(mi); mol != NULL;
967	>	mol = info->nextMolecule(mi)) {
968		nIOPerMol[mol->getGlobalIndex()] = mol->getNIntegrableObjects();
969		}
970
971		#ifdef IS_MPI
972		std::vector<int> numIntegrableObjectsPerMol(info->getNGlobalMolecules(), 0);
973		MPI_Allreduce(&nIOPerMol[0], &numIntegrableObjectsPerMol[0],
974	<	info->getNGlobalMolecules(), MPI_INT, MPI_SUM, MPI_COMM_WORLD);
974	>	info->getNGlobalMolecules(), MPI_INT, MPI_SUM, MPI_COMM_WORLD);
975		#else
976		std::vector<int> numIntegrableObjectsPerMol = nIOPerMol;
977		#endif
#	Line 903 \| Line 985 \| namespace OpenMD {
985		}
986
987		std::vector<StuntDouble> IOIndexToIntegrableObject(info->getNGlobalIntegrableObjects(), (StuntDouble)NULL);
988	<	for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) {
988	>	for (mol = info->beginMolecule(mi); mol != NULL;
989	>	mol = info->nextMolecule(mi)) {
990		int myGlobalIndex = mol->getGlobalIndex();
991		int globalIO = startingIOIndexForMol[myGlobalIndex];
992		for (StuntDouble* sd = mol->beginIntegrableObject(ioi); sd != NULL;
#	Line 919 \| Line 1002 \| namespace OpenMD {
1002		}
1003
1004		void SimCreator::loadCoordinates(SimInfo* info, const std::string& mdFileName) {
1005	<
1005	>
1006		DumpReader reader(info, mdFileName);
1007		int nframes = reader.getNFrames();
1008	<
1008	>
1009		if (nframes > 0) {
1010		reader.readFrame(nframes - 1);
1011		} else {

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Comparing trunk/src/brains/SimCreator.cpp (file contents): Revision 1793 by gezelter, Fri Aug 31 21:16:10 2012 UTC vs. Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC

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Comparing trunk/src/brains/SimCreator.cpp (file contents):
Revision 1793 by gezelter, Fri Aug 31 21:16:10 2012 UTC vs.
Revision 1993 by gezelter, Tue Apr 29 17:32:31 2014 UTC