Ignore:
Timestamp:
Nov 23, 2009, 6:51:50 PM (16 years ago)
Author:
Frederik Heber <heber@…>
Children:
16f34d, 7d1ad9
Parents:
418117a
Message:

Fixing ticket #18.

  • each eLog() << Verbose(0) is now followed by performCriticalExit().
File:
1 edited

Legend:

Unmodified
Added
Removed
  • molecuilder/src/builder.cpp

    r418117a r3d4969  
    11701170  else {
    11711171    eLog() << Verbose(0) << "I don't have anything to test on ... ";
     1172    performCriticalExit();
    11721173    return;
    11731174  }
     
    14511452            if ((argptr >= argc) || (argv[argptr][0] == '-')) {
    14521453              eLog() << Verbose(0) << "Not enough or invalid arguments for specifying element db: -e <db file>" << endl;
     1454              performCriticalExit();
    14531455            } else {
    14541456              Log() << Verbose(0) << "Using " << argv[argptr] << " as elements database." << endl;
     
    14601462            if ((argptr >= argc) || (argv[argptr][0] == '-')) {
    14611463              eLog() << Verbose(0) << "Not enough or invalid arguments for specifying bond length table: -g <table file>" << endl;
     1464              performCriticalExit();
    14621465            } else {
    14631466              BondGraphFileName = argv[argptr];
     
    15521555                ExitFlag = 255;
    15531556                eLog() << Verbose(0) << "Not enough arguments for parsing: -p <xyz file>" << endl;
     1557                performCriticalExit();
    15541558              } else {
    15551559                SaveFlag = true;
     
    15681572                ExitFlag = 255;
    15691573                eLog() << Verbose(0) << "Not enough or invalid arguments for adding atom: -a <element> <x> <y> <z>" << endl;
     1574                performCriticalExit();
    15701575              } else {
    15711576                SaveFlag = true;
     
    15961601                ExitFlag = 255;
    15971602                eLog() << Verbose(0) << "Not enough or invalid arguments given for setting MPQC basis: -B <basis name>" << endl;
     1603                performCriticalExit();
    15981604              } else {
    15991605                configuration.basis = argv[argptr];
     
    16401646                ExitFlag = 255;
    16411647                eLog() << Verbose(0) << "Not enough or invalid arguments given for pair correlation analysis: -C <Z> <output> <bin output>" << endl;
     1648                performCriticalExit();
    16421649              } else {
    16431650                SaveFlag = false;
     
    16861693                ExitFlag = 255;
    16871694                eLog() << Verbose(0) << "Not enough or invalid arguments given for changing element: -E <atom nr.> <element>" << endl;
     1695                performCriticalExit();
    16881696              } else {
    16891697                SaveFlag = true;
     
    16991707                ExitFlag = 255;
    17001708                eLog() << Verbose(0) << "Not enough or invalid arguments given for filling box with water: -F <dist_x> <dist_y> <dist_z> <randatom> <randmol> <DoRotate>" << endl;
     1709                performCriticalExit();
    17011710              } else {
    17021711                SaveFlag = true;
     
    17371746                ExitFlag =255;
    17381747                eLog() << Verbose(0) << "Missing source file for bonds in molecule: -A <bond sourcefile>" << endl;
     1748                performCriticalExit();
    17391749              } else {
    17401750                Log() << Verbose(0) << "Parsing bonds from " << argv[argptr] << "." << endl;
     
    17501760                ExitFlag = 255;
    17511761                eLog() << Verbose(0) << "Not enough or invalid arguments given for non-convex envelope: -o <radius> <tecplot output file>" << endl;
     1762                performCriticalExit();
    17521763              } else {
    17531764                class Tesselation *T = NULL;
     
    17831794                ExitFlag = 255;
    17841795                eLog() << Verbose(0) << "Not enough or invalid arguments given for storing tempature: -S <temperature file>" << endl;
     1796                performCriticalExit();
    17851797              } else {
    17861798                Log() << Verbose(1) << "Storing temperatures in " << argv[argptr] << "." << endl;
     
    18001812                ExitFlag = 255;
    18011813                eLog() << Verbose(0) << "Not enough or invalid arguments given for storing tempature: -L <step0> <step1> <prefix> <identity mapping?>" << endl;
     1814                performCriticalExit();
    18021815              } else {
    18031816                SaveFlag = true;
     
    18171830                ExitFlag = 255;
    18181831                eLog() << Verbose(0) << "Not enough or invalid arguments given for parsing and integrating forces: -P <forces file>" << endl;
     1832                performCriticalExit();
    18191833              } else {
    18201834                SaveFlag = true;
     
    18321846                ExitFlag = 255;
    18331847                eLog() << Verbose(0) << "Not enough or invalid arguments given for removing atoms: -R <id> <distance>" << endl;
     1848                performCriticalExit();
    18341849              } else {
    18351850                SaveFlag = true;
     
    18571872                ExitFlag = 255;
    18581873                eLog() << Verbose(0) << "Not enough or invalid arguments given for translation: -t <x> <y> <z>" << endl;
     1874                performCriticalExit();
    18591875              } else {
    18601876                if (ExitFlag == 0) ExitFlag = 1;
     
    18721888                ExitFlag = 255;
    18731889                eLog() << Verbose(0) << "Not enough or invalid arguments given for periodic translation: -T <x> <y> <z>" << endl;
     1890                performCriticalExit();
    18741891              } else {
    18751892                if (ExitFlag == 0) ExitFlag = 1;
     
    18871904                ExitFlag = 255;
    18881905                eLog() << Verbose(0) << "Not enough or invalid arguments given for scaling: -s <factor_x> [factor_y] [factor_z]" << endl;
     1906                performCriticalExit();
    18891907              } else {
    18901908                SaveFlag = true;
     
    19101928                ExitFlag = 255;
    19111929                eLog() << Verbose(0) << "Not enough or invalid arguments given for centering in box: -b <xx> <xy> <xz> <yy> <yz> <zz>" << endl;
     1930                performCriticalExit();
    19121931              } else {
    19131932                SaveFlag = true;
     
    19271946                ExitFlag = 255;
    19281947                eLog() << Verbose(0) << "Not enough or invalid arguments given for bounding in box: -B <xx> <xy> <xz> <yy> <yz> <zz>" << endl;
     1948                performCriticalExit();
    19291949              } else {
    19301950                SaveFlag = true;
     
    19441964                ExitFlag = 255;
    19451965                eLog() << Verbose(0) << "Not enough or invalid arguments given for centering with boundary: -c <boundary_x> <boundary_y> <boundary_z>" << endl;
     1966                performCriticalExit();
    19461967              } else {
    19471968                SaveFlag = true;
     
    19771998                ExitFlag = 255;
    19781999                eLog() << Verbose(0) << "Not enough or invalid arguments given for removing atoms: -r <id>" << endl;
     2000                performCriticalExit();
    19792001              } else {
    19802002                SaveFlag = true;
     
    19902012                ExitFlag = 255;
    19912013                eLog() << Verbose(0) << "Not enough or invalid arguments for fragmentation: -f <max. bond distance> <bond order>" << endl;
     2014                performCriticalExit();
    19922015              } else {
    19932016                Log() << Verbose(0) << "Fragmenting molecule with bond distance " << argv[argptr] << " angstroem, order of " << argv[argptr+1] << "." << endl;
     
    20232046                ExitFlag = 255;
    20242047                eLog() << Verbose(0) << "Not enough or invalid arguments given for convex envelope: -o <convex output file> <non-convex output file>" << endl;
     2048                performCriticalExit();
    20252049              } else {
    20262050                class Tesselation *TesselStruct = NULL;
     
    20472071                ExitFlag = 255;
    20482072                eLog() << Verbose(0) << "Not enough or invalid arguments given for suspension with specified volume: -U <volume> <density>" << endl;
    2049                 volume = -1; // for case 'u': don't print error again
     2073                performCriticalExit();
    20502074              } else {
    20512075                volume = atof(argv[argptr++]);
     
    20582082                  ExitFlag = 255;
    20592083                  eLog() << Verbose(0) << "Not enough arguments given for suspension: -u <density>" << endl;
     2084                  performCriticalExit();
    20602085              } else {
    20612086                double density;
     
    20642089                density = atof(argv[argptr++]);
    20652090                if (density < 1.0) {
    2066                   eLog() << Verbose(0) << "Density must be greater than 1.0g/cm^3 !" << endl;
     2091                  eLog() << Verbose(1) << "Density must be greater than 1.0g/cm^3 !" << endl;
    20672092                  density = 1.3;
    20682093                }
     
    20812106                ExitFlag = 255;
    20822107                eLog() << Verbose(0) << "Not enough or invalid arguments given for repeating cells: -d <repeat_x> <repeat_y> <repeat_z>" << endl;
     2108                performCriticalExit();
    20832109              } else {
    20842110                SaveFlag = true;
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