Changes in src/analyzer.cpp [a67d19:717e0c]
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src/analyzer.cpp (modified) (7 diffs)
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src/analyzer.cpp
ra67d19 r717e0c 7 7 8 8 //============================ INCLUDES =========================== 9 10 #include <cstring>11 9 12 10 #include "datacreator.hpp" … … 63 61 int counter = 0; 64 62 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; 67 65 68 66 // Get the command line options 69 67 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; 75 73 return 1; 76 74 } else { … … 81 79 82 80 if (argc > 4) { 83 DoLog(0) && (Log() << Verbose(0) << "Loading periodentafel." << endl);81 Log() << Verbose(0) << "Loading periodentafel." << endl; 84 82 periode = Malloc<periodentafel>(1, "main - periode"); 85 83 periode->LoadPeriodentafel(argv[4]); … … 96 94 if (!Hcorrection.ParseFragmentMatrix(argv[1], "", HCORRECTIONSUFFIX,0,0)) { 97 95 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; 99 97 } 100 98 … … 102 100 if (!Hessian.ParseFragmentMatrix(argv[1], dir, HessianSuffix,0,0)) { 103 101 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; 105 103 } 106 104 if (!Time.ParseFragmentMatrix(argv[1], dir, TimeSuffix, 10,1)) { 107 105 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; 109 107 } 110 108 if (periode != NULL) { // also look for PAS values … … 248 246 // +++++++++++++++ ANALYZING ++++++++++++++++++++++++++++++ 249 247 250 DoLog(0) && (Log() << Verbose(0) << "Analyzing ..." << endl);248 Log() << Verbose(0) << "Analyzing ..." << endl; 251 249 252 250 // ======================================= Creating the data files ============================================================== … … 559 557 delete(periode); 560 558 Free(&dir); 561 DoLog(0) && (Log() << Verbose(0) << "done." << endl);559 Log() << Verbose(0) << "done." << endl; 562 560 return 0; 563 561 };
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