Changes in src/analyzer.cpp [717e0c:a67d19]
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src/analyzer.cpp (modified) (7 diffs)
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src/analyzer.cpp
r717e0c ra67d19 7 7 8 8 //============================ INCLUDES =========================== 9 10 #include <cstring> 9 11 10 12 #include "datacreator.hpp" … … 61 63 int counter = 0; 62 64 63 Log() << Verbose(0) << "ANOVA Analyzer" << endl;64 Log() << Verbose(0) << "==============" << endl;65 DoLog(0) && (Log() << Verbose(0) << "ANOVA Analyzer" << endl); 66 DoLog(0) && (Log() << Verbose(0) << "==============" << endl); 65 67 66 68 // Get the command line options 67 69 if (argc < 4) { 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;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); 73 75 return 1; 74 76 } else { … … 79 81 80 82 if (argc > 4) { 81 Log() << Verbose(0) << "Loading periodentafel." << endl;83 DoLog(0) && (Log() << Verbose(0) << "Loading periodentafel." << endl); 82 84 periode = Malloc<periodentafel>(1, "main - periode"); 83 85 periode->LoadPeriodentafel(argv[4]); … … 94 96 if (!Hcorrection.ParseFragmentMatrix(argv[1], "", HCORRECTIONSUFFIX,0,0)) { 95 97 NoHCorrection = true; 96 eLog() << Verbose(2) << "No HCorrection file found, skipping these." << endl;98 DoeLog(2) && (eLog()<< Verbose(2) << "No HCorrection file found, skipping these." << endl); 97 99 } 98 100 … … 100 102 if (!Hessian.ParseFragmentMatrix(argv[1], dir, HessianSuffix,0,0)) { 101 103 NoHessian = true; 102 eLog() << Verbose(2) << "No Hessian file found, skipping these." << endl;104 DoeLog(2) && (eLog()<< Verbose(2) << "No Hessian file found, skipping these." << endl); 103 105 } 104 106 if (!Time.ParseFragmentMatrix(argv[1], dir, TimeSuffix, 10,1)) { 105 107 NoTime = true; 106 eLog() << Verbose(2) << "No speed file found, skipping these." << endl;108 DoeLog(2) && (eLog()<< Verbose(2) << "No speed file found, skipping these." << endl); 107 109 } 108 110 if (periode != NULL) { // also look for PAS values … … 246 248 // +++++++++++++++ ANALYZING ++++++++++++++++++++++++++++++ 247 249 248 Log() << Verbose(0) << "Analyzing ..." << endl;250 DoLog(0) && (Log() << Verbose(0) << "Analyzing ..." << endl); 249 251 250 252 // ======================================= Creating the data files ============================================================== … … 557 559 delete(periode); 558 560 Free(&dir); 559 Log() << Verbose(0) << "done." << endl;561 DoLog(0) && (Log() << Verbose(0) << "done." << endl); 560 562 return 0; 561 563 };
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