[ViewVC] Diff of: group/trunk/OOPSE-3.0/src/applications/nanoRodBuilder/nanorodBuilder.cpp

Comparing trunk/OOPSE-3.0/src/applications/nanoRodBuilder/nanorodBuilder.cpp (file contents):
Revision 2190 by gezelter, Wed Apr 13 22:30:22 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

#	Line 1 \| Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 111 \| Line 111 \| *int main(int argc, char argv []) {**
111		exit(1);
112
113
114	<
114	>	// Check for lib CGAL, if we don't have it, we should exit....
115	>
116	>	#ifndef HAVE_CGAL
117	>	std::cerr << "nanoRodBuilder requires libCGAL to function, please rebuild OOPSE with libCGAL."
118	>	<< std::endl;
119	>	exit(1);
120	>	#endif
121	>
122	>
123	>
124		//get lattice type
125		latticeType = UpperCase(args_info.latticetype_arg);
126
#	Line 194 \| Line 203 \| *int main(int argc, char argv []) {**
203
204
205		// Create geometry for nanocrystal
206	<	#ifdef HAVE_GCAL
206	>	#ifdef HAVE_CGAL
207		GeometryBuilder myGeometry(rodLength,rodDiameter);
208		#endif
209
#	Line 244 \| Line 253 \| *int main(int argc, char argv []) {**
253
254		for(int l = 0; l < numMolPerCell; l++) {
255
256	<	#ifdef HAVE_GCAL
256	>	#ifdef HAVE_CGAL
257		if (myGeometry.isInsidePolyhedron(latticePos[l][0],latticePos[l][1],latticePos[l][2])){
258		numMol++;
259		}
251	–	#else
252	–	numMol++;
260		#endif
261		}
262		}
#	Line 334 \| Line 341 \| *int main(int argc, char argv []) {**
341		if (writer == NULL) {
342		std::cerr << "error in creating DumpWriter" << std::endl;
343		exit(1);
344	<	}
344	>	}
345
346		writer->writeDump();
347		std::cout << "new initial configuration file: " << outInitFileName

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