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 |
} |