[ViewVC] Diff of: group/trunk/OOPSE/staticProps/GofR.cpp

Comparing trunk/OOPSE/staticProps/GofR.cpp (file contents):
Revision 803 by mmeineke, Fri Oct 10 17:10:22 2003 UTC vs.
Revision 810 by mmeineke, Fri Oct 17 21:19:07 2003 UTC

#	Line 4 \| Line 4
4		#include <cstring>
5		#include <cmath>
6
7	+	#include "simError.h"
8		#include "PairCorrType.hpp"
9
10		using namespace std;
#	Line 35 \| Line 36 \| GofR::~GofR(){
36		delete[] avgGofR;
37		}
38
39	<	void GofR::correlate( double[3] Rij, double dist,
40	<	double[3] uHatI, double[3] uHatJ ){
39	>	void GofR::correlate( double Rij[3], double dist,
40	>	double uHatI[3], double uHatJ[3] ){
41		int bin;
42	<
42	>
43		if( correlateMe ){
44
45		bin = (int)( dist / delR );
#	Line 50 \| Line 51 \| void GofR::accumulateFrame( void ){
51		void GofR::accumulateFrame( void ){
52		int i;
53		double rLower, rUpper, volSlice;
54	<	int nIdeal;
54	>	double nIdeal;
55
56		nFrames++;
57
#	Line 59 \| Line 60 \| void GofR::accumulateFrame( void ){
60		rLower = i * delR;
61		rUpper = rLower + delR;
62
63	<	volSlice = pow( rUpper, 3.0 ) - pow( rLower, 3.0 );
63	>	volSlice = ( rUpper * rUpper * rUpper ) - ( rLower * rLower * rLower );
64		nIdeal = volSlice * pairConstant;
65
66		currGofR[i] = currHist[i] / nIdeal;
#	Line 73 \| Line 74 \| *void GofR::writeCorr( char outPrefix ){**
74		void GofR::writeCorr( char* outPrefix ){
75
76		double rValue, corrValue;
77	+	double rLower, rUpper, volSlice;
78	+	double nIdeal;
79		int i;
80		char outName[200];
81
#	Line 92 \| Line 95 \| *void GofR::writeCorr( char outPrefix ){**
95		simError();
96		}
97
98	<	outStream << "#rValue\tcorrValue\n"
98	>	outStream << "#rValue\tcorrValue\n";
99
100		for(i=0;i<nBins;i++){
101	<
101	>
102		rValue = ( i + 0.5 ) * delR;
103		corrValue = avgGofR[i] / nFrames;
104

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