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root/group/trunk/OOPSE/utils/sysBuild.cpp
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Comparing trunk/OOPSE/utils/sysBuild.cpp (file contents):
Revision 502 by mmeineke, Tue Apr 15 21:47:54 2003 UTC vs.
Revision 589 by chuckv, Thu Jul 10 19:53:50 2003 UTC

# Line 11 | Line 11
11  
12   #include "sysBuild.hpp"
13   #include "bilayerSys.hpp"
14 + //#include "nanoBuilder.hpp"
15  
16   // this routine is defined in BASS_interface.cpp
17   extern void set_interface_stamps( MakeStamps* ms, Globals* g );
# Line 18 | Line 19 | extern void set_interface_stamps( MakeStamps* ms, Glob
19  
20   // case asignments
21   #define BILAYER 1
22 + #define NANO 2
23  
22 –
24   char* program_name;
25   bassInfo bsInfo;
26   void usage(void);
# Line 88 | Line 89 | int main( int argc, char* argv[]){
89              simError();
90              usage();
91            }
92 +
93            sysType = BILAYER;
94 +
95 +          i++;
96 +          if( i>=argc ){
97 +            sprintf( painCave.errMsg,
98 +                     "\n"
99 +                     "not enough arguments for bilayer\n");
100 +            painCave.isFatal = 0;
101 +            simError();
102 +            usage();
103 +          }      
104 +          strcpy( bsInfo.lipidName, argv[i] );
105 +          
106 +          i++;
107 +          if( i>=argc ){
108 +            sprintf( painCave.errMsg,
109 +                     "\n"
110 +                     "not enough arguments for bilayer\n");
111 +            painCave.isFatal = 0;
112 +            simError();
113 +            usage();
114 +          }      
115 +          strcpy( bsInfo.waterName, argv[i] );
116 +
117          }
118  
119          else{
# Line 419 | Line 444 | int main( int argc, char* argv[]){
444      buildBilayer( isRandom );
445      break;
446  
447 +  case NANO:
448 +    // buildNano( isRandom );
449 +    break;
450 +
451    default:
452      sprintf( painCave.errMsg,
453               "Unknown system type: %d\n", sysType );
454      painCave.isFatal = 1;
455      simError();
456 +
457    }
458    
459  
# Line 470 | Line 500 | void usage(){
500                  "\n"
501                  "  long:\n"
502                  "  -----\n"
503 <                "   --bilayer       Tries to build a basic bilayer with the specified number\n"
504 <                "                     of lipids in the input bass file. The bilayer will be\n"
505 <                "                     surrounded by the number of solvent molecules given\n"
506 <                "                     in the bass file.\n"
507 <                "                      -note: combined with \"-r\" the simulation will start in\n"
508 <                "                             an FCC lattice with randomly assigned latice\n"
479 <                "                             sites for all atoms involved.\n"
503 >                "   --bilayer <lipid> <water>  Tries to build a basic bilayer with the specified number\n"
504 >                "                              of lipids in the input bass file. The bilayer will be\n"
505 >                "                              surrounded by the number of solvent molecules given\n"
506 >                "                              in the bass file.\n"
507 >                "                                -note: combined with \"-r\" the simulation will start\n"
508 >                "                                 the lipids randomly oriented in a sea of waters.\n"
509                  "\n"
510                  "\n",
511                  program_name);

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