OOPSE/props/AllCorr.hpp

#ifndef __ALLCORR_H__
#define __ALLCORR_H__

#include <vector>

3include "SimInfo.hpp"

#include "PairCorrList.hpp"
#include "PairCorrType.hpp"
#include "ReadWrite.hpp"


class AllCorr {
  
public:
  
  AllCorr();
  ~AllCorr();

  void setPairCorrList( vector <PairCorrList> &theList );
  void setFrames( SimInfo* theInfoArray, int theNframes, 
                  DumpReader* theReader );
  void setMaxLength( double theLength );

  void initCorrelations( char* outPrefix );
  void calcCorrelations( void );

protected:


  PairCorrType **pairCorrs;
  int nPairs;

  int nAtoms;
  SimInfo* infoArray;
  int nFrames;
  DumpReader* reader;
  double maxLength;

  bool haveFrames;
  bool haveLength;
};


#endif
Revision:	798
Committed:	Fri Oct 3 22:02:52 2003 UTC (21 years, 9 months ago) by mmeineke
File size:	695 byte(s)
Log Message:	changed the formating ogf the error statements in simError added a function to get the maxCutoff near completion of the staticProps code. still needs the pair loop, and the loop to allocate and read each frame.
#	User	Rev	Content
1	mmeineke	762	#ifndef __ALLCORR_H__
2			#define __ALLCORR_H__
3
4			#include <vector>
5
6	mmeineke	795	3include "SimInfo.hpp"
7
8	mmeineke	762	#include "PairCorrList.hpp"
9			#include "PairCorrType.hpp"
10	mmeineke	795	#include "ReadWrite.hpp"
11	mmeineke	762
12	mmeineke	795
13	mmeineke	762	class AllCorr {
14
15			public:
16
17	mmeineke	798	AllCorr();
18			~AllCorr();
19	mmeineke	762
20	mmeineke	795	void setPairCorrList( vector <PairCorrList> &theList );
21			void setFrames( SimInfo* theInfoArray, int theNframes,
22			DumpReader* theReader );
23	mmeineke	798	void setMaxLength( double theLength );
24	mmeineke	762
25	mmeineke	795	void initCorrelations( char* outPrefix );
26			void calcCorrelations( void );
27
28	mmeineke	762	protected:
29
30	mmeineke	798
31
32	mmeineke	795	PairCorrType **pairCorrs;
33			int nPairs;
34	mmeineke	798
35			int nAtoms;
36			SimInfo* infoArray;
37			int nFrames;
38			DumpReader* reader;
39			double maxLength;
40
41			bool haveFrames;
42			bool haveLength;
43	mmeineke	762	};
44
45
46			#endif