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

Comparing trunk/src/applications/staticProps/GofRAngle.cpp (file contents):
Revision 310 by tim, Thu Feb 10 18:14:03 2005 UTC vs.
Revision 311 by tim, Thu Feb 10 22:37:21 2005 UTC

#	Line 70 \| Line 70 \| void GofRAngle::processHistogram() {
70
71		double volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
72		double pairDensity = npairs_ /volume;
73	<	double pairConstant = ( 4.0 * PI * pairDensity ) / 3.0;
73	>	double pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0;
74
75		for(int i = 0 ; i < histogram_.size(); ++i){
76
#	Line 103 \| Line 103 \| *void GofRAngle::collectHistogram(StuntDouble sd1, Stu**
103
104		double cosAngle = evaluateAngle(sd1, sd2);
105		double halfBin = (nAngleBins_ - 1) * 0.5;
106	<	int whichThetaBin = halfBin * (cosAngle + 1.0)
106	>	int whichThetaBin = halfBin * (cosAngle + 1.0);
107		++histogram_[whichRBin][whichThetaBin];
108
109		++npairs_;
#	Line 139 \| Line 139 \| *double GofRTheta::evaluateAngle(StuntDouble sd1, Stun**
139		Vector3d r12 = pos1 - pos2;
140		currentSnapshot_->wrapVector(r12);
141		r12.normalize();
142	<	Vector3d dipole = sd1->getElectroFrame().getColumn(2)ЃЛ
142	>	Vector3d dipole = sd1->getElectroFrame().getColumn(2);
143		dipole.normalize();
144	<	return dot();
144	>	return dot(r12, dipole);
145		}
146
147		double GofROmega::evaluateAngle(StuntDouble* sd1, StuntDouble* sd2) {
148		Vector3d v1 = sd1->getElectroFrame().getColumn(2);
149		Vector3d v2 = sd1->getElectroFrame().getColumn(2);
150	+	v1.normalize();
151	+	v2.normalize();
152	+	return dot(v1, v2);
153		}
154
155

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