Changeset 1f2e46 for molecuilder/src/analyzer.cpp
- Timestamp:
- Apr 22, 2010, 2:00:03 PM (16 years ago)
- Children:
- 423c7b
- Parents:
- c43766
- File:
-
- 1 edited
-
molecuilder/src/analyzer.cpp (modified) (4 diffs)
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/analyzer.cpp
rc43766 r1f2e46 63 63 int counter = 0; 64 64 65 Log() << Verbose(0) << "ANOVA Analyzer" << endl;66 Log() << Verbose(0) << "==============" << endl;65 DoLog(0) && (Log() << Verbose(0) << "ANOVA Analyzer" << endl); 66 DoLog(0) && (Log() << Verbose(0) << "==============" << endl); 67 67 68 68 // Get the command line options 69 69 if (argc < 4) { 70 Log() << Verbose(0) << "Usage: " << argv[0] << " <inputdir> <prefix> <outputdir> [elementsdb]" << endl;71 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 Log() << Verbose(0) << "<prefix>\tprefix of energy and forces file." << endl;73 Log() << Verbose(0) << "<outputdir>\tcreated plotfiles and datafiles are placed into this directory " << endl;74 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); 75 75 return 1; 76 76 } else { … … 81 81 82 82 if (argc > 4) { 83 Log() << Verbose(0) << "Loading periodentafel." << endl;83 DoLog(0) && (Log() << Verbose(0) << "Loading periodentafel." << endl); 84 84 periode = Malloc<periodentafel>(1, "main - periode"); 85 85 periode->LoadPeriodentafel(argv[4]); … … 248 248 // +++++++++++++++ ANALYZING ++++++++++++++++++++++++++++++ 249 249 250 Log() << Verbose(0) << "Analyzing ..." << endl;250 DoLog(0) && (Log() << Verbose(0) << "Analyzing ..." << endl); 251 251 252 252 // ======================================= Creating the data files ============================================================== … … 559 559 delete(periode); 560 560 Free(&dir); 561 Log() << Verbose(0) << "done." << endl;561 DoLog(0) && (Log() << Verbose(0) << "done." << endl); 562 562 return 0; 563 563 };
Note:
See TracChangeset
for help on using the changeset viewer.
