Add some string utils; rework `Benchmark`

include/ABACUS.h

@@ -22,6 +22,7 @@ const char ABACUS_VERSION[20] = "ABACUS_0a";
 // Standard includes
 #include <cmath>
 #include <complex>  // for complex number algebra
+#include <algorithm>  // for count
 #include <string>
 
 #include <iostream>

include/ABACUS_Utils.h

@@ -37,8 +37,38 @@ const DP MACHINE_EPS_SQ = pow(MACHINE_EPS, 2.0);
 
 namespace ABACUS {
 
+  // Inexplicably missing string functions in standard library:
+
+  std::string replace(const std::string& str, const std::string& from, const std::string& to) {
+    std::string repl = str;
+    size_t start_pos = repl.find(from);
+    if(start_pos < std::string::npos)
+      repl.replace(start_pos, from.length(), to);
+    return repl;
+  }
+
+  std::string replace_all(const std::string& str, const std::string& from, const std::string& to) {
+    std::string repl = str;
+    if(from.empty())
+      return repl;
+    size_t start_pos = 0;
+    while((start_pos = repl.find(from, start_pos)) != std::string::npos) {
+      repl.replace(start_pos, from.length(), to);
+      start_pos += to.length();
+    }
+    return repl;
+  }
+
+
   // File checks:
 
+  inline unsigned int count_lines(std::string filename)
+  {
+    std::ifstream infile(filename);
+    return(std::count(std::istreambuf_iterator<char>(infile),
+		      std::istreambuf_iterator<char>(), '\n'));
+  }
+
   inline bool file_exists (const char* filename)
   {
     std::fstream file;

scripts/plot_benchmarks.py

@@ -1,11 +1,9 @@
-#!/usr/bin/python
-
 """
 Plots benchmark files produced from Benchmark_RAW_File.
 
 Usage: python plot_benchmarks.py [benchmark file name].
 
-Example: python plot_benchmarks.py LiebLin_Rho_Rho_c_4_L_64_N_64_64_0__iK_32.raw_bmk
+Example: python plot_benchmarks.py LiebLin_Rho_Rho_c_4_L_64_N_64_64_0__iK_32_raw.bmk
 """
 
 import matplotlib.pyplot as plt

src/EXECS/Benchmark_RAW_File.cc

@@ -23,19 +23,11 @@ using namespace ABACUS;
 
 namespace ABACUS {
 
-  void Benchmark_RAW_File (const char ff_file[], char whichDSF)
+  void Benchmark_RAW_File (const string ff_file, char whichDSF)
   {
-    // Check size of raw file:
+    string filename = ff_file;
-    struct stat statbuf;
 
-    stat (ff_file, &statbuf);
+    const int MAXDATA = count_lines(filename);
-    int filesize = statbuf.st_size;
-
-    // Determine the number of entries approximately
-    int entry_size = 2* sizeof(float) + 2*sizeof(int);
-
-    //const int MAXDATA = 50000000;
-    const int MAXDATA = filesize/entry_size + 10;
 
     DP* omega = new DP[MAXDATA];
     int* iK = new int[MAXDATA];
@@ -45,7 +37,7 @@ namespace ABACUS {
     string* label = new string[MAXDATA];
 
     ifstream infile;
-    infile.open(ff_file);
+    infile.open(filename);
 
     if (infile.fail()) ABACUSerror("The input file was not opened successfully in Benchmark_RAW_File. ");
 
@@ -73,14 +65,10 @@ namespace ABACUS {
       for (int i = 0; i < Ndata; ++i) sr_cont[i] = fabs(omega[i]) * ff[i] * ff[i];
     }
 
-    stringstream outfilename;
+    string outfilename = replace_all(filename, ".", "_") + ".bmk";
-    string outfilename_string;
-    outfilename << ff_file << "_bmk";
-    outfilename_string = outfilename.str();
-    const char* outfilename_c_str = outfilename_string.c_str();
 
     ofstream outfile1;
-    outfile1.open(outfilename_c_str);
+    outfile1.open(outfilename);
     outfile1.precision(16);
 
     for (int i = 0; i < Ndata; i++) {
@@ -93,12 +81,8 @@ namespace ABACUS {
     // Now the ordered one
     QuickSort(sr_cont, index, 0, Ndata - 1);
 
-    outfilename << "_srt";
-    outfilename_string = outfilename.str();
-    const char* outfilename2_c_str = outfilename_string.c_str();
-
     ofstream outfile2;
-    outfile2.open(outfilename2_c_str);
+    outfile2.open(outfilename + "_srt");
     outfile2.precision(16);
 
     for (int i = 0; i < Ndata; i++) {
@@ -133,7 +117,8 @@ int main(int argc, char* argv[])
     ABACUSerror("");
   }
 
-  const char* rawfilename = argv[1];
+  // const char* rawfilename = argv[1];
+  string rawfilename = argv[1];
   char whichDSF = *argv[2];
 
   Benchmark_RAW_File (rawfilename, whichDSF);