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  • src/analyzer.cpp

    ra67d19 r717e0c  
    77
    88//============================ INCLUDES ===========================
    9 
    10 #include <cstring>
    119
    1210#include "datacreator.hpp"
     
    6361  int counter = 0;
    6462
    65   DoLog(0) && (Log() << Verbose(0) << "ANOVA Analyzer" << endl);
    66   DoLog(0) && (Log() << Verbose(0) << "==============" << endl);
     63  Log() << Verbose(0) << "ANOVA Analyzer" << endl;
     64  Log() << Verbose(0) << "==============" << endl;
    6765
    6866  // Get the command line options
    6967  if (argc < 4) {
    70     DoLog(0) && (Log() << Verbose(0) << "Usage: " << argv[0] << " <inputdir> <prefix> <outputdir> [elementsdb]" << endl);
    71     DoLog(0) && (Log() << Verbose(0) << "<inputdir>\ttherein the output of a molecuilder fragmentation is expected, each fragment with a subdir containing an energy.all and a forces.all file." << endl);
    72     DoLog(0) && (Log() << Verbose(0) << "<prefix>\tprefix of energy and forces file." << endl);
    73     DoLog(0) && (Log() << Verbose(0) << "<outputdir>\tcreated plotfiles and datafiles are placed into this directory " << endl);
    74     DoLog(0) && (Log() << Verbose(0) << "[elementsdb]\tpath to elements database, needed for shieldings." << endl);
     68    Log() << Verbose(0) << "Usage: " << argv[0] << " <inputdir> <prefix> <outputdir> [elementsdb]" << endl;
     69    Log() << Verbose(0) << "<inputdir>\ttherein the output of a molecuilder fragmentation is expected, each fragment with a subdir containing an energy.all and a forces.all file." << endl;
     70    Log() << Verbose(0) << "<prefix>\tprefix of energy and forces file." << endl;
     71    Log() << Verbose(0) << "<outputdir>\tcreated plotfiles and datafiles are placed into this directory " << endl;
     72    Log() << Verbose(0) << "[elementsdb]\tpath to elements database, needed for shieldings." << endl;
    7573    return 1;
    7674  } else {
     
    8179
    8280  if (argc > 4) {
    83     DoLog(0) && (Log() << Verbose(0) << "Loading periodentafel." << endl);
     81    Log() << Verbose(0) << "Loading periodentafel." << endl;
    8482    periode = Malloc<periodentafel>(1, "main - periode");
    8583    periode->LoadPeriodentafel(argv[4]);
     
    9694  if (!Hcorrection.ParseFragmentMatrix(argv[1], "", HCORRECTIONSUFFIX,0,0)) {
    9795    NoHCorrection = true;
    98     DoeLog(2) && (eLog()<< Verbose(2) << "No HCorrection file found, skipping these." << endl);
     96    eLog() << Verbose(2) << "No HCorrection file found, skipping these." << endl;
    9997  }
    10098 
     
    102100  if (!Hessian.ParseFragmentMatrix(argv[1], dir, HessianSuffix,0,0)) {
    103101    NoHessian = true;
    104     DoeLog(2) && (eLog()<< Verbose(2) << "No Hessian file found, skipping these." << endl);
     102    eLog() << Verbose(2) << "No Hessian file found, skipping these." << endl;
    105103  }
    106104  if (!Time.ParseFragmentMatrix(argv[1], dir, TimeSuffix, 10,1)) {
    107105    NoTime = true;
    108     DoeLog(2) && (eLog()<< Verbose(2) << "No speed file found, skipping these." << endl);
     106    eLog() << Verbose(2) << "No speed file found, skipping these." << endl;
    109107  }
    110108  if (periode != NULL) { // also look for PAS values
     
    248246  // +++++++++++++++ ANALYZING ++++++++++++++++++++++++++++++
    249247
    250   DoLog(0) && (Log() << Verbose(0) << "Analyzing ..." << endl);
     248  Log() << Verbose(0) << "Analyzing ..." << endl;
    251249
    252250  // ======================================= Creating the data files ==============================================================
     
    559557  delete(periode);
    560558  Free(&dir);
    561   DoLog(0) && (Log() << Verbose(0) << "done." << endl);
     559  Log() << Verbose(0) << "done." << endl;
    562560  return 0;
    563561};
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