128 lines
2.9 KiB
C++
128 lines
2.9 KiB
C++
/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c) J.-S. Caux.
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-----------------------------------------------------------
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File: Benchmark_RAW_File.cc
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Purpose: produces benchmarking files.
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Two files are produced, each with line output: label sr_cont order,
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- one in order of original RAW file
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- one in order of decreasing sr_cont
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***********************************************************/
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#include "ABACUS.h"
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using namespace std;
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using namespace ABACUS;
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namespace ABACUS {
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void Benchmark_RAW_File (const string ff_file, char whichDSF)
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{
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string filename = ff_file;
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const int MAXDATA = count_lines(filename);
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DP* omega = new DP[MAXDATA];
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int* iK = new int[MAXDATA];
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DP* ff = new DP[MAXDATA];
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DP* ff_im = new DP[MAXDATA];
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DP* dev = new DP[MAXDATA];
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string* label = new string[MAXDATA];
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ifstream infile;
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infile.open(filename);
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if (infile.fail()) ABACUSerror("The input file was not opened successfully in Benchmark_RAW_File. ");
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int Ndata = 0;
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while (((infile.peek()) != EOF) && (Ndata < MAXDATA)) {
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infile >> omega[Ndata];
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infile >> iK[Ndata];
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if (whichDSF != 'Z') infile >> ff[Ndata];
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if (whichDSF == 'q') infile >> ff_im[Ndata]; // imaginary part of overlap, quench case
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infile >> dev[Ndata];
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infile >> label[Ndata];
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Ndata++;
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}
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infile.close();
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int* index = new int[Ndata];
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// Sum rule contribution
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DP* sr_cont = new DP[MAXDATA];
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for (int i = 0; i < Ndata; ++i) index[i] = i;
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if (whichDSF == 'd') {
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for (int i = 0; i < Ndata; ++i) sr_cont[i] = fabs(omega[i]) * ff[i] * ff[i];
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}
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string outfilename = replace_all(filename, ".", "_") + ".bmk";
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ofstream outfile1;
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outfile1.open(outfilename);
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outfile1.precision(16);
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for (int i = 0; i < Ndata; i++) {
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if (i > 0) outfile1 << endl;
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outfile1 << index[i] << "\t" << sr_cont[i] << "\t" << label[i];
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}
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outfile1.close();
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// Now the ordered one
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QuickSort(sr_cont, index, 0, Ndata - 1);
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ofstream outfile2;
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outfile2.open(outfilename + "_srt");
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outfile2.precision(16);
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for (int i = 0; i < Ndata; i++) {
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if (i > 0) outfile2 << endl;
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outfile2 << index[Ndata - 1 - i] << "\t" << sr_cont[Ndata - i - 1] << "\t" << label[index[Ndata - 1 - i] ];
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}
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outfile2.close();
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delete[] omega;
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delete[] iK;
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delete[] ff;
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delete[] ff_im;
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delete[] dev;
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delete[] label;
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delete[] index;
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delete[] sr_cont;
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return;
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}
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} // namespace ABACUS
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int main(int argc, char* argv[])
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{
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if (argc != 3) {
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cout << "Arguments needed: rawfile, whichDSF." << endl;
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ABACUSerror("");
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}
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// const char* rawfilename = argv[1];
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string rawfilename = argv[1];
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char whichDSF = *argv[2];
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Benchmark_RAW_File (rawfilename, whichDSF);
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return(0);
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}
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