OOPSE/utils/sysBuild.cpp

#include <cstdlib>
#include <cstdio>
#include <cstring>

#include "simError.h"

#include "bilayerSys.hpp"

// quick case asignments

#define BILAYER 1


char* program_name;
void usage(void);


int main( int argc, char* argv[]){

  int i,j,k;
  int sysType;
  int done, have_prefix, isRandom;
  char current_flag;
  char* out_prefix;
  char* in_name;
  
  sysBuildInfo info;

  // initialize simError
  initSimError();


  program_name = argv[0]; /*save the program name in case we need it*/
  sysType = -1;
  have_prefix = 0;
  isRandom = 0;
  in_name = NULL;
  for( i = 1; i < argc; i++){
    
    if(argv[i][0] =='-'){

      // parse the option
      
      if(argv[i][1] == '-' ){

        // parse long word options
        
        if( !strcmp( argv[i], "--bilayer" ) ){
          if( sysType > 0 ){
            sprintf( painCave.errMsg,
                     "You cannot specify more than one system to build.\n" );
            painCave.isFatal = 0;
            simError();
            usage();
          }
          sysType = BILAYER;
        }

        else{
          sprintf( painCave.errMsg,
                   "Invalid option \"%s\"\n", argv[i] );
          painCave.isFatal = 0;
          simError();
          usage();
        }
      }
      
      else{
        
        // parse single character options
        
        done =0;
        j = 1;
        current_flag = argv[i][j];
        while( (current_flag != '\0') && (!done) ){
          
          switch(current_flag){

          case 'o':
            // -o <prefix> => the output prefix.

            i++;
            out_prefix = argv[i];
            have_prefix = 1;
            done = 1;
            break;

          case 'h':
            // -h => give the usage
            
            usage();
            break;
        
          case 'r':
            // toggle random

            isRandom = 1;;
            break;

          default:
            sprintf(painCave.errMsg, 
                    "Bad option \"-%c\"\n", current_flag);
            painCave.isFatal = 0;
            simError();
            usage();
          }
          j++;
          current_flag = argv[i][j];
        }
      }
    }

    else{
      
      if( in_name != NULL ){
        sprintf( painCave.errMsg, 
                 "Error at \"%s\", program does not support\n"
                 "more than one input file.\n"
                 "\n",
                 argv[i]);
        painCave.isFatal = 0;
        simError();
        usage();
      }

      in_name = argv[i];
    }
  }

  if(in_name == NULL){
    sprintf( painCave.errMsg,
             "No input bass file was specified.\n");
    painCave.isFatal = 0;
    simError();    
    usage();
  }

  if( sysType < 0 ){
    sprintf( painCave.errMsg,
             "No system type was specified.\n");
    painCave.isFatal = 0;
    simError();    
    usage();
  }
  
  
  // if no output prefix is given default to "donkey".

  if( !have_prefix ){
    out_prefix = strdup( "donkey" );
  }
   
  info.in_name = in_name;
  info.out_prefix = out_prefix;
  info.isRandom = isRandom;
  
  // switch the system type

  switch( sysType ){
    
  case BILAYER:
    
    buildBilayer( info );
    break;

  default:
    sprintf( painCave.errMsg,
             "Unknown system type: %d\n", sysType );
    painCave.isFatal = 1;
    simError();
  }
  
  return 0;
}


/***************************************************************************
 * prints out the usage for the command line arguments, then exits.
 ***************************************************************************/

void usage(){
  (void)fprintf(stdout, 
                "The proper usage is: %s [options] <input bass>\n"
                "\n"
                "Options:\n"
                "\n"
                "  short:\n"
                "  ------\n"
                "   -h              Display this message\n"
                "   -o <prefix>     The output prefix\n"
                "   -r              toggle the random option\n"
                "\n"
                "  long:\n"
                "  -----\n"
                "   --bilayer       Tries to build a basic bilayer with the specified number\n"
                "                     of lipids in the input bass file. The bilayer will be\n"
                "                     surrounded by the number of solvent molecules given\n"
                "                     in the bass file.\n"
                "                      -note: combined with \"-r\" the simulation will start in\n"
                "                             an FCC lattice with randomly assigned latice\n"
                "                             sites for all atoms involved.\n"
                "\n"
                "\n",
                program_name);
  exit(8);
}
Revision:	498
Committed:	Mon Apr 14 21:22:54 2003 UTC (22 years, 6 months ago) by mmeineke
File size:	3961 byte(s)
Log Message:	working on the system builder
#	User	Rev	Content
1	mmeineke	495	#include <cstdlib>
2			#include <cstdio>
3			#include <cstring>
4
5			#include "simError.h"
6
7	mmeineke	498	#include "bilayerSys.hpp"
8
9	mmeineke	495	// quick case asignments
10
11			#define BILAYER 1
12
13
14			char* program_name;
15			void usage(void);
16
17
18			int main( int argc, char* argv[]){
19
20			int i,j,k;
21			int sysType;
22			int done, have_prefix, isRandom;
23			char current_flag;
24			char* out_prefix;
25			char* in_name;
26	mmeineke	498
27			sysBuildInfo info;
28	mmeineke	495
29			// initialize simError
30			initSimError();
31
32
33			program_name = argv[0]; /save the program name in case we need it/
34			sysType = -1;
35			have_prefix = 0;
36			isRandom = 0;
37			in_name = NULL;
38			for( i = 1; i < argc; i++){
39
40			if(argv[i][0] =='-'){
41
42			// parse the option
43
44			if(argv[i][1] == '-' ){
45
46			// parse long word options
47
48			if( !strcmp( argv[i], "--bilayer" ) ){
49			if( sysType > 0 ){
50			sprintf( painCave.errMsg,
51			"You cannot specify more than one system to build.\n" );
52			painCave.isFatal = 0;
53			simError();
54			usage();
55			}
56			sysType = BILAYER;
57			}
58
59			else{
60			sprintf( painCave.errMsg,
61			"Invalid option \"%s\"\n", argv[i] );
62			painCave.isFatal = 0;
63			simError();
64			usage();
65			}
66			}
67
68			else{
69
70			// parse single character options
71
72			done =0;
73			j = 1;
74			current_flag = argv[i][j];
75			while( (current_flag != '\0') && (!done) ){
76
77			switch(current_flag){
78
79			case 'o':
80			// -o <prefix> => the output prefix.
81
82			i++;
83			out_prefix = argv[i];
84			have_prefix = 1;
85			done = 1;
86			break;
87
88			case 'h':
89			// -h => give the usage
90
91			usage();
92			break;
93
94			case 'r':
95			// toggle random
96
97			isRandom = 1;;
98			break;
99
100			default:
101			sprintf(painCave.errMsg,
102	mmeineke	498	"Bad option \"-%c\"\n", current_flag);
103	mmeineke	495	painCave.isFatal = 0;
104			simError();
105			usage();
106			}
107			j++;
108			current_flag = argv[i][j];
109			}
110			}
111			}
112
113			else{
114
115			if( in_name != NULL ){
116			sprintf( painCave.errMsg,
117			"Error at \"%s\", program does not support\n"
118			"more than one input file.\n"
119			"\n",
120			argv[i]);
121			painCave.isFatal = 0;
122			simError();
123			usage();
124			}
125
126			in_name = argv[i];
127			}
128			}
129
130			if(in_name == NULL){
131	mmeineke	498	sprintf( painCave.errMsg,
132			"No input bass file was specified.\n");
133			painCave.isFatal = 0;
134			simError();
135	mmeineke	495	usage();
136			}
137	mmeineke	498
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	mmeineke	495
146
147	mmeineke	498	// 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	mmeineke	495
157	mmeineke	498	// 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	mmeineke	495
173			return 0;
174			}
175
176
177			/***************************************************************************
178			* prints out the usage for the command line arguments, then exits.
179			***************************************************************************/
180
181			void usage(){
182			(void)fprintf(stdout,
183			"The proper usage is: %s [options] <input bass>\n"
184			"\n"
185			"Options:\n"
186			"\n"
187			" short:\n"
188			" ------\n"
189			" -h Display this message\n"
190			" -o <prefix> The output prefix\n"
191			" -r toggle the random option\n"
192			"\n"
193			" long:\n"
194			" -----\n"
195			" --bilayer Tries to build a basic bilayer with the specified number\n"
196			" of lipids in the input bass file. The bilayer will be\n"
197			" surrounded by the number of solvent molecules given\n"
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	mmeineke	498	" sites for all atoms involved.\n"
202	mmeineke	495	"\n"
203			"\n",
204			program_name);
205			exit(8);
206			}