[ViewVC] Diff of: OpenMD/trunk/src/applications/staticProps/GofAngle2.cpp

Comparing trunk/src/applications/staticProps/GofAngle2.cpp (file contents):
Revision 311 by tim, Thu Feb 10 22:37:21 2005 UTC vs.
Revision 356 by tim, Wed Feb 16 21:00:39 2005 UTC

#	Line 46 \| Line 46 \| namespace oopse {
46
47		namespace oopse {
48
49	<	GofAngle2::GofAngle2(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2)
50	<	: RadialDistrFunc(info, filename, sele1, sele2){
49	>	GofAngle2::GofAngle2(SimInfo* info, const std::string& filename, const std::string& sele1,
50	>	const std::string& sele2, int nangleBins)
51	>	: RadialDistrFunc(info, filename, sele1, sele2), nAngleBins_(nangleBins) {
52	>
53		setOutputName(getPrefix(filename) + ".gto");
54
55	+	deltaCosAngle_ = 2.0 / nAngleBins_;
56	+
57	+	histogram_.resize(nAngleBins_);
58	+	avgGofr_.resize(nAngleBins_);
59	+	for (int i = 0 ; i < nAngleBins_; ++i) {
60	+	histogram_[i].resize(nAngleBins_);
61	+	avgGofr_[i].resize(nAngleBins_);
62	+	}
63	+
64		}
65
66
#	Line 113 \| Line 124 \| void GofAngle2::writeRdf() {
124		double cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
125
126		for(int j = 0; j < avgGofr_[i].size(); ++j) {
127	<	double cosAngle2 = -1.0 + (i + 0.5)*deltaCosAngle_;
127	>	double cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
128		rdfStream << cosAngle1 << "\t" << cosAngle2 << "\t" << avgGofr_[i][j]/nProcessed_ << "\n";
129		}
130		}

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