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root/group/trunk/OOPSE/utils/sysBuild.cpp
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Comparing trunk/OOPSE/utils/sysBuild.cpp (file contents):
Revision 495 by mmeineke, Mon Apr 14 19:52:00 2003 UTC vs.
Revision 498 by mmeineke, Mon Apr 14 21:22:54 2003 UTC

# Line 2 | Line 2
2   #include <cstdio>
3   #include <cstring>
4  
5 –
5   #include "simError.h"
6  
7 + #include "bilayerSys.hpp"
8 +
9   // quick case asignments
10  
11   #define BILAYER 1
# Line 22 | Line 23 | int main( int argc, char* argv[]){
23    char current_flag;
24    char* out_prefix;
25    char* in_name;
26 +  
27 +  sysBuildInfo info;
28  
29    // initialize simError
30    initSimError();
# Line 96 | Line 99 | int main( int argc, char* argv[]){
99  
100            default:
101              sprintf(painCave.errMsg,
102 <                    "Bad option \"-%s\"\n", current_flag);
102 >                    "Bad option \"-%c\"\n", current_flag);
103              painCave.isFatal = 0;
104              simError();
105              usage();
# Line 125 | Line 128 | int main( int argc, char* argv[]){
128    }
129  
130    if(in_name == NULL){
131 +    sprintf( painCave.errMsg,
132 +             "No input bass file was specified.\n");
133 +    painCave.isFatal = 0;
134 +    simError();    
135      usage();
136    }
137 +
138 +  if( sysType < 0 ){
139 +    sprintf( painCave.errMsg,
140 +             "No system type was specified.\n");
141 +    painCave.isFatal = 0;
142 +    simError();    
143 +    usage();
144 +  }
145    
146    
147 +  // if no output prefix is given default to "donkey".
148 +
149 +  if( !have_prefix ){
150 +    out_prefix = strdup( "donkey" );
151 +  }
152 +  
153 +  info.in_name = in_name;
154 +  info.out_prefix = out_prefix;
155 +  info.isRandom = isRandom;
156    
157 +  // switch the system type
158 +
159 +  switch( sysType ){
160 +    
161 +  case BILAYER:
162 +    
163 +    buildBilayer( info );
164 +    break;
165 +
166 +  default:
167 +    sprintf( painCave.errMsg,
168 +             "Unknown system type: %d\n", sysType );
169 +    painCave.isFatal = 1;
170 +    simError();
171 +  }
172    
134 –  
135 –  
136 –  
137 –  
173    return 0;
174   }
175  
# Line 163 | Line 198 | void usage(){
198                  "                     in the bass file.\n"
199                  "                      -note: combined with \"-r\" the simulation will start in\n"
200                  "                             an FCC lattice with randomly assigned latice\n"
201 <                "                             for all atoms involved.\n"
201 >                "                             sites for all atoms involved.\n"
202                  "\n"
203                  "\n",
204                  program_name);

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