OOPSE/props/GofR.cpp

#include <cstring>
#include <cmath>

#include "PairCorrType.hpp"


GofR::GofR( char* key1, char* key2, int theNatoms ):
  PairCorrType(  key1, key2, theNatoms )
{
  int i;
  
  strcpy( corrType, "GofR" );
  
  for(i=0;i<N_BINS;i++){
    currHist[i] = 0;
    currGofR[i] = 0.0;
    avgGofR[i]  = 0.0;
  }
    
}


void GofR::correlate( double[3] Rij, double dist, 
                      double[3] uHatI, double[3] uHatJ ){
  int bin;
  
  bin = (int)( dist / delR );
  if( bin < N_BINS )currHist[bin] += 2;
}
Revision:	758
Committed:	Wed Sep 10 21:28:33 2003 UTC (21 years ago) by mmeineke
File size:	495 byte(s)
Log Message:	added more work on getting gofR working.
#	User	Rev	Content
1	mmeineke	756	#include <cstring>
2			#include <cmath>
3
4			#include "PairCorrType.hpp"
5
6
7			GofR::GofR( char* key1, char* key2, int theNatoms ):
8			PairCorrType( key1, key2, theNatoms )
9			{
10	mmeineke	758	int i;
11	mmeineke	756
12			strcpy( corrType, "GofR" );
13
14	mmeineke	758	for(i=0;i<N_BINS;i++){
15			currHist[i] = 0;
16			currGofR[i] = 0.0;
17			avgGofR[i] = 0.0;
18			}
19
20	mmeineke	756	}
21
22
23	mmeineke	758
24	mmeineke	756	void GofR::correlate( double[3] Rij, double dist,
25			double[3] uHatI, double[3] uHatJ ){
26	mmeineke	758	int bin;
27	mmeineke	756
28	mmeineke	758	bin = (int)( dist / delR );
29			if( bin < N_BINS )currHist[bin] += 2;
30	mmeineke	756	}