[ViewVC] Diff of: OpenMD/trunk/src/applications/hydrodynamics/Hydro.cpp

Comparing trunk/src/applications/hydrodynamics/Hydro.cpp (file contents):
Revision 977 by tim, Thu May 25 16:27:27 2006 UTC vs.
Revision 1177 by xsun, Tue Aug 14 17:40:33 2007 UTC

#	Line 89 \| Line 89 \| *int main(int argc, char argv[]){**
89		exit(1);
90		}
91
92	–	mdFileName = dumpFileName;
93	–	mdFileName = mdFileName.substr(0, mdFileName.rfind(".")) + ".md";
94	–
92		if (args_info.output_given){
93		prefix = args_info.output_arg;
94		} else {
95	<	prefix = getPrefix(mdFileName);
95	>	prefix = getPrefix(dumpFileName);
96		}
97		std::string outputFilename = prefix + ".diff";
98
99		//parse md file and set up the system
100		SimCreator creator;
101	<	SimInfo* info = creator.createSim(mdFileName, true);
101	>	SimInfo* info = creator.createSim(dumpFileName, true);
102
103		SimInfo::MoleculeIterator mi;
104		Molecule* mol;
#	Line 157 \| Line 154 \| *int main(int argc, char argv[]){**
154
155
156
160	–	std::ofstream outputDiff(outputFilename.c_str());
157		std::map<std::string, SDShape>::iterator si;
158		for (si = uniqueStuntDoubles.begin(); si != uniqueStuntDoubles.end(); ++si) {
159		HydrodynamicsModel* model;
#	Line 183 \| Line 179 \| *int main(int argc, char argv[]){**
179		//if beads option is turned on, skip the calculation
180		if (!args_info.beads_flag) {
181		model->calcHydroProps(shape, viscosity, temperature);
182	+	std::ofstream outputDiff;
183	+	outputDiff.open(outputFilename.c_str());
184		model->writeHydroProps(outputDiff);
185	+	outputDiff.close();
186		}
187
188		delete model;

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