| 1 |
#include <cstdlib> |
| 2 |
#include <cstdio> |
| 3 |
#include <cstring> |
| 4 |
|
| 5 |
|
| 6 |
#include "simError.h" |
| 7 |
|
| 8 |
// quick case asignments |
| 9 |
|
| 10 |
#define BILAYER 1 |
| 11 |
|
| 12 |
|
| 13 |
char* program_name; |
| 14 |
void usage(void); |
| 15 |
|
| 16 |
|
| 17 |
int main( int argc, char* argv[]){ |
| 18 |
|
| 19 |
int i,j,k; |
| 20 |
int sysType; |
| 21 |
int done, have_prefix, isRandom; |
| 22 |
char current_flag; |
| 23 |
char* out_prefix; |
| 24 |
char* in_name; |
| 25 |
|
| 26 |
// initialize simError |
| 27 |
initSimError(); |
| 28 |
|
| 29 |
|
| 30 |
program_name = argv[0]; /*save the program name in case we need it*/ |
| 31 |
sysType = -1; |
| 32 |
have_prefix = 0; |
| 33 |
isRandom = 0; |
| 34 |
in_name = NULL; |
| 35 |
for( i = 1; i < argc; i++){ |
| 36 |
|
| 37 |
if(argv[i][0] =='-'){ |
| 38 |
|
| 39 |
// parse the option |
| 40 |
|
| 41 |
if(argv[i][1] == '-' ){ |
| 42 |
|
| 43 |
// parse long word options |
| 44 |
|
| 45 |
if( !strcmp( argv[i], "--bilayer" ) ){ |
| 46 |
if( sysType > 0 ){ |
| 47 |
sprintf( painCave.errMsg, |
| 48 |
"You cannot specify more than one system to build.\n" ); |
| 49 |
painCave.isFatal = 0; |
| 50 |
simError(); |
| 51 |
usage(); |
| 52 |
} |
| 53 |
sysType = BILAYER; |
| 54 |
} |
| 55 |
|
| 56 |
else{ |
| 57 |
sprintf( painCave.errMsg, |
| 58 |
"Invalid option \"%s\"\n", argv[i] ); |
| 59 |
painCave.isFatal = 0; |
| 60 |
simError(); |
| 61 |
usage(); |
| 62 |
} |
| 63 |
} |
| 64 |
|
| 65 |
else{ |
| 66 |
|
| 67 |
// parse single character options |
| 68 |
|
| 69 |
done =0; |
| 70 |
j = 1; |
| 71 |
current_flag = argv[i][j]; |
| 72 |
while( (current_flag != '\0') && (!done) ){ |
| 73 |
|
| 74 |
switch(current_flag){ |
| 75 |
|
| 76 |
case 'o': |
| 77 |
// -o <prefix> => the output prefix. |
| 78 |
|
| 79 |
i++; |
| 80 |
out_prefix = argv[i]; |
| 81 |
have_prefix = 1; |
| 82 |
done = 1; |
| 83 |
break; |
| 84 |
|
| 85 |
case 'h': |
| 86 |
// -h => give the usage |
| 87 |
|
| 88 |
usage(); |
| 89 |
break; |
| 90 |
|
| 91 |
case 'r': |
| 92 |
// toggle random |
| 93 |
|
| 94 |
isRandom = 1;; |
| 95 |
break; |
| 96 |
|
| 97 |
default: |
| 98 |
sprintf(painCave.errMsg, |
| 99 |
"Bad option \"-%s\"\n", current_flag); |
| 100 |
painCave.isFatal = 0; |
| 101 |
simError(); |
| 102 |
usage(); |
| 103 |
} |
| 104 |
j++; |
| 105 |
current_flag = argv[i][j]; |
| 106 |
} |
| 107 |
} |
| 108 |
} |
| 109 |
|
| 110 |
else{ |
| 111 |
|
| 112 |
if( in_name != NULL ){ |
| 113 |
sprintf( painCave.errMsg, |
| 114 |
"Error at \"%s\", program does not support\n" |
| 115 |
"more than one input file.\n" |
| 116 |
"\n", |
| 117 |
argv[i]); |
| 118 |
painCave.isFatal = 0; |
| 119 |
simError(); |
| 120 |
usage(); |
| 121 |
} |
| 122 |
|
| 123 |
in_name = argv[i]; |
| 124 |
} |
| 125 |
} |
| 126 |
|
| 127 |
if(in_name == NULL){ |
| 128 |
usage(); |
| 129 |
} |
| 130 |
|
| 131 |
|
| 132 |
|
| 133 |
|
| 134 |
|
| 135 |
|
| 136 |
|
| 137 |
|
| 138 |
return 0; |
| 139 |
} |
| 140 |
|
| 141 |
|
| 142 |
/*************************************************************************** |
| 143 |
* prints out the usage for the command line arguments, then exits. |
| 144 |
***************************************************************************/ |
| 145 |
|
| 146 |
void usage(){ |
| 147 |
(void)fprintf(stdout, |
| 148 |
"The proper usage is: %s [options] <input bass>\n" |
| 149 |
"\n" |
| 150 |
"Options:\n" |
| 151 |
"\n" |
| 152 |
" short:\n" |
| 153 |
" ------\n" |
| 154 |
" -h Display this message\n" |
| 155 |
" -o <prefix> The output prefix\n" |
| 156 |
" -r toggle the random option\n" |
| 157 |
"\n" |
| 158 |
" long:\n" |
| 159 |
" -----\n" |
| 160 |
" --bilayer Tries to build a basic bilayer with the specified number\n" |
| 161 |
" of lipids in the input bass file. The bilayer will be\n" |
| 162 |
" surrounded by the number of solvent molecules given\n" |
| 163 |
" in the bass file.\n" |
| 164 |
" -note: combined with \"-r\" the simulation will start in\n" |
| 165 |
" an FCC lattice with randomly assigned latice\n" |
| 166 |
" for all atoms involved.\n" |
| 167 |
"\n" |
| 168 |
"\n", |
| 169 |
program_name); |
| 170 |
exit(8); |
| 171 |
} |
