[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/InitializeFromFile.cpp

Comparing trunk/OOPSE/libmdtools/InitializeFromFile.cpp (file contents):
Revision 1096 by mmeineke, Thu Jan 8 18:13:30 2004 UTC vs.
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC

#	Line 327 \| Line 327 \| *char InitializeFromFile::parseDumpLine(char* readLine**
327		double pos[3]; // position place holders
328		double vel[3]; // velocity placeholders
329		double q[4]; // the quaternions
330	<	double jx, jy, jz; // angular velocity placeholders;
330	>	double ji[3]; // angular velocity placeholders;
331		double qSqr, qLength; // needed to normalize the quaternion vector.
332
333		Atom **atoms = simnfo->atoms;
#	Line 490 \| Line 490 \| *char InitializeFromFile::parseDumpLine(char* readLine**
490		c_in_name, n_atoms, atomIndex );
491		return strdup( painCave.errMsg );
492		}
493	<	jx = atof( foo );
493	>	ji[0] = atof( foo );
494
495		foo = strtok(NULL, " ,;\t");
496		if(foo == NULL){
#	Line 500 \| Line 500 \| *char InitializeFromFile::parseDumpLine(char* readLine**
500		c_in_name, n_atoms, atomIndex );
501		return strdup( painCave.errMsg );
502		}
503	<	jy = atof(foo );
503	>	ji[1] = atof(foo );
504
505		foo = strtok(NULL, " ,;\t");
506		if(foo == NULL){
#	Line 510 \| Line 510 \| *char InitializeFromFile::parseDumpLine(char* readLine**
510		c_in_name, n_atoms, atomIndex );
511		return strdup( painCave.errMsg );
512		}
513	<	jz = atof( foo );
513	>	ji[2] = atof( foo );
514
515		dAtom = ( DirectionalAtom* )atoms[atomIndex];
516
#	Line 528 \| Line 528 \| *char InitializeFromFile::parseDumpLine(char* readLine**
528
529		// add the angular velocities
530
531	<	dAtom->setJx( jx );
532	<	dAtom->setJy( jy );
533	<	dAtom->setJz( jz );
531	>	dAtom->setJ( ji );
532		}
533
534		// add the positions and velocities to the atom

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