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root/group/trunk/OOPSE/staticProps/staticProps.cpp
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Comparing trunk/OOPSE/staticProps/staticProps.cpp (file contents):
Revision 803 by mmeineke, Fri Oct 10 17:10:22 2003 UTC vs.
Revision 810 by mmeineke, Fri Oct 17 21:19:07 2003 UTC

# Line 39 | Line 39 | int main(int argC,char* argV[]){
39    bool haveMaxLength;
40    double maxLength;
41    
42 +  bool separateOut;
43 +  bool havePairCorrs;
44 +  bool haveStaticCorrs;
45 +
46    int nBins;
47  
48    vector<PairCorrList> theList;
# Line 59 | Line 63 | int main(int argC,char* argV[]){
63    
64    // first things first, all of the initializations
65  
66 <  printf("Initializing stuff ....\n");
63 <  fflush(sdtout);
66 >  fflush(stdout);
67    srand48( 1337 );          // the random number generator.
68    initSimError();           // the error handler
69  
# Line 72 | Line 75 | int main(int argC,char* argV[]){
75  
76    havePrefix = false;
77    haveMaxLength = false;
78 +
79 +  haveStaticCorrs = false;
80 +  havePairCorrs = false;
81 +  separateOut = false;
82    
83    maxLength = 1.0;
84    nBins = 100;
85  
86 <  programName = argv[0]; /*save the program name in case we need it*/
86 >  programName = argV[0]; /*save the program name in case we need it*/
87  
88    for( i = 1; i < argC; i++){
89      
# Line 114 | Line 121 | int main(int argC,char* argV[]){
121  
122            pairType = gofr;
123            theList.push_back(PairCorrList( pairType, pair1, pair2 ));
124 +          havePairCorrs = true;
125          }
126  
127          else if( !strcmp( argV[i], "--version") ){
# Line 242 | Line 250 | int main(int argC,char* argV[]){
250              }
251              
252              done = true;
253 +
254 +            break;
255 +
256 +          case 's':
257 +            // -s turn on separate output files
258  
259 +            separateOut = true;
260              break;
261  
262            case 'n':
# Line 394 | Line 408 | int main(int argC,char* argV[]){
408    theCorrs.setNbins( nBins );
409    theCorrs.setFrames( infoArray, nFrames, reader );
410    theCorrs.setPairCorrList( theList );
411 <  theCorrs.initCorrelations( outPrefix );
411 >  theCorrs.initCorrelations( outPrefix, separateOut, havePairCorrs,
412 >                             haveStaticCorrs );
413  
414    printf("done\n");
415    fflush(stdout);
# Line 429 | Line 444 | void usage(){
444                  "   long:\n"
445                  "   -----\n"
446                  "   --gofr <atom1> <atom2>    g(r) for atom1 and atom2\n"
447 <                "                                *note: \"_ALL_\" matches all atoms/n"
447 >                "                                *note: \"_ALL_\" matches all atoms\n"
448                  "   --version                 displays the version number\n"
449                  "   --help                    displays this help message.\n"
450                  

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