ABACUS/src/EXECS/RAW_File_Stats.cc

/**********************************************************

This software is part of J.-S. Caux's ABACUS library.

Copyright (c) J.-S. Caux.

-----------------------------------------------------------

File:  RAW_File_stats.cc

Purpose:  Analyzes the distribution of matrix element values in a RAW file,
          to help with optimization of the scanning procedure.

***********************************************************/

#include "ABACUS.h"

using namespace std;
using namespace ABACUS;


int main(int argc, char* argv[])
{

  if (argc != 3) { // provide some info

    cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
    cout << endl << "Usage of RAW_File_Stats executable: " << endl;
    cout << endl << "Provide the following arguments:" << endl << endl;
    cout << endl << "string RAW file name" << endl;
    cout << "int Aggregate size" << endl;
  }

  else { // correct nr of arguments
    const char* rawfilename = argv[1];
    int AgSize = atoi(argv[2]);

    if (AgSize < 2) ABACUSerror("Give an aggregate size > 1 in LiebLin_RAW_File_Stats.");

    ifstream RAW_infile;
    RAW_infile.open(rawfilename);
    if (RAW_infile.fail()) {
      cout << rawfilename << endl;
      ABACUSerror("Could not open RAW_infile... ");
    }

    stringstream STAT_stringstream;  string STAT_string;
    STAT_stringstream << rawfilename << "_AgS_" << AgSize << "_stat";
    STAT_string = STAT_stringstream.str();    const char* STAT_Cstr = STAT_string.c_str();

    ofstream STATfile;
    STATfile.open(STAT_Cstr);
    if (STATfile.fail()) {
      cout << STAT_Cstr << endl; ABACUSerror("Could not open STATfile.");
    }

    DP omega;
    int iK;
    DP ME;
    DP dev;
    string label;

    int nread = 0;

    DP srcont = 0.0;
    DP abssrcont = 0.0;
    DP maxsrcont = 0.0;
    DP totsrcont = 0.0;
    DP accumulatedsrcont = 0.0;
    int naccounted = 0;

    while (RAW_infile.peek() != EOF) {

      RAW_infile >> omega >> iK >> ME >> dev >> label;
      nread++;

      srcont = ME * ME;
      abssrcont = fabs(srcont);
      maxsrcont = ABACUS::max(maxsrcont, abssrcont);
      totsrcont += srcont;
      accumulatedsrcont += srcont;
      naccounted++;

      if (naccounted >= AgSize) {
	STATfile << nread << "\t" << maxsrcont << "\t" << totsrcont/AgSize << "\t" << totsrcont/(AgSize * (maxsrcont > 0.0 ? maxsrcont : 1.0)) << "\t" << accumulatedsrcont << endl;
	naccounted = 0;
	maxsrcont = 0.0;
	totsrcont = 0.0;
      }
    }

    RAW_infile.close();
    STATfile.close();
  }


  return(0);
}