2 |
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#include <stdlib.h> |
3 |
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#include <string.h> |
4 |
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|
5 |
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#define STR_BUFFER_SIZE 500 |
6 |
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|
7 |
< |
char *program_name; /*the name of the program */ |
7 |
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// ******************************************************* |
8 |
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// Uncomment the following two tyedefs to support multiple |
9 |
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// input files |
10 |
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// ******************************************************* |
11 |
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|
12 |
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typedef struct{ |
13 |
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char fileName[STR_BUFFER_SIZE]; |
14 |
> |
FILE* filePtr; |
15 |
> |
} fileStruct; |
16 |
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|
17 |
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typedef struct linkedNameTag { |
18 |
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char name[STR_BUFFER_SIZE]; |
19 |
> |
struct linkedNameTag* next; |
20 |
> |
} linkedName; |
21 |
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|
22 |
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// ******************************************************* |
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// end multiple file support |
24 |
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// ******************************************************* |
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|
26 |
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|
27 |
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char *programName; /*the name of the program */ |
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void usage(void); |
29 |
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|
30 |
< |
int main(argc, argv) |
31 |
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int argc; |
32 |
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char *argv[]; |
30 |
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int main(argC, argV) |
31 |
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int argC; |
32 |
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char *argV[]; |
33 |
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{ |
34 |
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int i,j; // loop counters |
35 |
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|
36 |
< |
char *in_name = NULL; // name of the input file |
37 |
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char* out_prefix = NULL; // the output prefix |
38 |
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char current_flag; // used in parsing the flags |
36 |
> |
char* outPrefix; // the output prefix |
37 |
> |
|
38 |
> |
char* conversionCheck; |
39 |
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int conversionError; |
40 |
> |
int optionError; |
41 |
> |
|
42 |
> |
char currentFlag; // used in parsing the flags |
43 |
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int done = 0; // multipurpose boolean |
44 |
< |
int have_prefix; // boolean for the output prefix |
44 |
> |
int havePrefix; // boolean for the output prefix |
45 |
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|
46 |
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int flag1; |
47 |
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char flag1Arg1[STR_BUFFER_SIZE]; |
48 |
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char flag1Arg2[STR_BUFFER_SIZE]; |
49 |
+ |
int flag2; |
50 |
+ |
double flag2Val; |
51 |
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int flag3; |
52 |
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int rFlag; |
53 |
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int iFlag, iVal; |
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|
55 |
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// ********************************************************** |
56 |
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// to support single or multiple input files, uncomment the |
57 |
+ |
// appropriate declarations |
58 |
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// ********************************************************** |
59 |
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// single: |
60 |
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|
61 |
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// char* inName; |
62 |
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// FILE* inFile; |
63 |
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|
64 |
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// *********************************************************** |
65 |
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// multiple: |
66 |
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|
67 |
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fileStruct* inputArray; |
68 |
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linkedName* headName; |
69 |
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linkedName* currentName; |
70 |
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int nInputs; |
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|
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// end input file declarations |
73 |
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// *********************************************************** |
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|
75 |
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|
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|
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// intialize default values |
78 |
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|
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|
80 |
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// ******************************************** |
81 |
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// single input: |
82 |
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|
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// inName = NULL; |
84 |
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// inFile = NULL; |
85 |
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|
86 |
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// ********************************************* |
87 |
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// multiple input: |
88 |
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|
89 |
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nInputs = 0; |
90 |
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inputArray = NULL; |
91 |
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headName = NULL; |
92 |
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currentName = NULL; |
93 |
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|
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// end file initialization |
95 |
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// ********************************************** |
96 |
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|
97 |
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|
98 |
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|
99 |
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outPrefix = NULL; |
100 |
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|
101 |
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conversionError = 0; |
102 |
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optionError = 0; |
103 |
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|
104 |
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havePrefix = 0; |
105 |
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flag1 = 0; |
106 |
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flag2 = 0; |
107 |
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flag3 = 0; |
108 |
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rFlag = 0; |
109 |
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iFlag = 0; |
110 |
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|
111 |
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flag2Val = 0.0; |
112 |
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iVal = 0; |
113 |
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|
114 |
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|
115 |
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|
116 |
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// here we set the name of the program need by the usage message |
117 |
< |
program_name = argv[0]; |
117 |
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programName = argV[0]; |
118 |
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|
119 |
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|
120 |
< |
for( i = 1; i < argc; i++){ |
120 |
> |
for( i = 1; i < argC; i++){ |
121 |
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|
122 |
< |
if(argv[i][0] =='-'){ |
122 |
> |
if(argV[i][0] =='-'){ |
123 |
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|
124 |
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// parse the option |
125 |
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|
126 |
< |
if(argv[i][1] == '-' ){ |
126 |
> |
if(argV[i][1] == '-' ){ |
127 |
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|
128 |
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// parse long word options |
129 |
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|
130 |
< |
if( !strcmp( argv[i], "--GofR" ) ){ |
131 |
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calcGofR = 1; |
130 |
> |
if( !strcmp( argV[i], "--flag1" ) ){ |
131 |
> |
flag1 = 1; // set flag1 to true |
132 |
> |
|
133 |
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i++; |
134 |
< |
strcpy( gofR1, argv[i] ); |
134 |
> |
if( i>=argC ){ |
135 |
> |
fprintf( stderr, |
136 |
> |
"\n" |
137 |
> |
"not enough arguments for flag1\n"); |
138 |
> |
usage(); |
139 |
> |
exit(0); |
140 |
> |
} |
141 |
> |
strcpy( flag1Arg1, argV[i] ); |
142 |
> |
|
143 |
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i++; |
144 |
< |
strcpy( gofR2, argv[i] ); |
144 |
> |
if( i>=argC ){ |
145 |
> |
fprintf( stderr, |
146 |
> |
"\n" |
147 |
> |
"not enough arguments for flag1\n"); |
148 |
> |
usage(); |
149 |
> |
exit(0); |
150 |
> |
} |
151 |
> |
strcpy( flag1Arg2, argV[i] ); |
152 |
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} |
153 |
|
|
154 |
< |
else if( !strcmp( argv[i], "--CosCorr" ) ){ |
155 |
< |
calcCosCorr = 1; |
154 |
> |
else if( !strcmp( argV[i], "--flag2" ) ){ |
155 |
> |
flag2 = 1; // set the flag2 to true; |
156 |
> |
|
157 |
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i++; |
158 |
< |
strcpy( cosCorr1, argv[i] ); |
159 |
< |
i++; |
160 |
< |
strcpy( cosCorr2, argv[i] ); |
158 |
> |
if( i>=argC ){ |
159 |
> |
fprintf( stderr, |
160 |
> |
"\n" |
161 |
> |
"not enough arguments for flag2\n"); |
162 |
> |
usage(); |
163 |
> |
exit(0); |
164 |
> |
} |
165 |
> |
|
166 |
> |
flag2Val = strtod( argV[i], &conversionCheck ); |
167 |
> |
if( conversionCheck == argV[i] ) conversionError = 1; |
168 |
> |
if( *conversionCheck != '\0' ) conversionError = 1; |
169 |
> |
|
170 |
> |
if( conversionError ){ |
171 |
> |
|
172 |
> |
fprintf( stderr, |
173 |
> |
"Error converting \"%s\" to a double\n", argV[i] ); |
174 |
> |
usage(); |
175 |
> |
exit(0); |
176 |
> |
} |
177 |
> |
|
178 |
|
} |
179 |
|
|
180 |
< |
else if( !strcmp( argv[i], "--MuCorr") ){ |
181 |
< |
calcMuCorr = 1; |
182 |
< |
i++; |
55 |
< |
strcpy( muCorr, argv[i] ); |
180 |
> |
else if( !strcmp( argV[i], "--flag3") ){ |
181 |
> |
flag3 = 1; // set flag3 to be true |
182 |
> |
|
183 |
|
} |
184 |
|
|
185 |
< |
else if( !strcmp( argv[i], "--startFrame" ) ){ |
59 |
< |
haveStartFrame = 1; |
60 |
< |
i++; |
61 |
< |
startFrame = atoi(argv[i]); |
62 |
< |
startFrame--; |
63 |
< |
} |
185 |
> |
// anything else is an error |
186 |
|
|
65 |
– |
else if( !strcmp( argv[i], "--endFrame" ) ){ |
66 |
– |
haveEndFrame = 1; |
67 |
– |
i++; |
68 |
– |
endFrame = atoi(argv[i]); |
69 |
– |
} |
70 |
– |
|
187 |
|
else{ |
188 |
|
fprintf( stderr, |
189 |
< |
"Invalid option \"%s\"\n", argv[i] ); |
189 |
> |
"Invalid option \"%s\"\n", argV[i] ); |
190 |
|
usage(); |
191 |
+ |
exit(0); |
192 |
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} |
193 |
|
} |
194 |
|
|
198 |
|
|
199 |
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done =0; |
200 |
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j = 1; |
201 |
< |
current_flag = argv[i][j]; |
202 |
< |
while( (current_flag != '\0') && (!done) ){ |
201 |
> |
currentFlag = argV[i][j]; |
202 |
> |
while( (currentFlag != '\0') && (!done) ){ |
203 |
|
|
204 |
< |
switch(current_flag){ |
204 |
> |
switch(currentFlag){ |
205 |
|
|
206 |
+ |
case 'h': |
207 |
+ |
// -h => give the usage help message |
208 |
+ |
|
209 |
+ |
usage(); |
210 |
+ |
exit(0); |
211 |
+ |
break; |
212 |
+ |
|
213 |
|
case 'o': |
214 |
|
// -o <prefix> => the output prefix. |
215 |
|
|
216 |
+ |
j++; |
217 |
+ |
currentFlag = argV[i][j]; |
218 |
+ |
|
219 |
+ |
if( currentFlag != '\0' ) optionError = 1; |
220 |
+ |
|
221 |
+ |
if( optionError ){ |
222 |
+ |
fprintf( stderr, |
223 |
+ |
"\n" |
224 |
+ |
"The -o flag should end an option sequence.\n" |
225 |
+ |
" example: -ro <outname> *NOT* -or <outname>\n" ); |
226 |
+ |
usage(); |
227 |
+ |
exit(0); |
228 |
+ |
} |
229 |
+ |
|
230 |
|
i++; |
231 |
< |
out_prefix = argv[i]; |
232 |
< |
have_prefix = 1; |
233 |
< |
done = 1; |
234 |
< |
break; |
231 |
> |
if( i>=argC ){ |
232 |
> |
fprintf( stderr, |
233 |
> |
"\n" |
234 |
> |
"not enough arguments for -o\n"); |
235 |
> |
usage(); |
236 |
> |
exit(0); |
237 |
> |
} |
238 |
|
|
239 |
< |
case 'h': |
240 |
< |
// -h => give the usage |
239 |
> |
outPrefix = argV[i]; |
240 |
> |
if( outPrefix[0] == '-' ) optionError = 1; |
241 |
> |
|
242 |
> |
if( optionError ){ |
243 |
> |
fprintf( stderr, |
244 |
> |
"\n" |
245 |
> |
"\"%s\" is not a valid out prefix/name.\n" |
246 |
> |
"Out prefix/name should not begin with a dash.\n", |
247 |
> |
outPrefix ); |
248 |
> |
usage(); |
249 |
> |
exit(0); |
250 |
> |
} |
251 |
|
|
252 |
< |
usage(); |
252 |
> |
havePrefix = 1; |
253 |
> |
done = 1; |
254 |
|
break; |
255 |
+ |
|
256 |
+ |
|
257 |
|
|
258 |
|
case 'r': |
259 |
< |
// calculates the rmsd |
259 |
> |
// the r flag |
260 |
|
|
261 |
< |
calcRMSD = 1; |
261 |
> |
rFlag = 1; // set rflag to true |
262 |
|
break; |
263 |
|
|
264 |
< |
case 'g': |
265 |
< |
// calculate all to all g(r) |
264 |
> |
case 'i': |
265 |
> |
// -i <int> set <int> to the iVal |
266 |
|
|
267 |
< |
calcGofR = 1; |
268 |
< |
strcpy( gofR1, "all" ); |
269 |
< |
strcpy( gofR2, "all" ); |
267 |
> |
iFlag = 1; // set iFlag to true |
268 |
> |
j++; |
269 |
> |
currentFlag = argV[i][j]; |
270 |
> |
|
271 |
> |
if( currentFlag != '\0' ) optionError = 1; |
272 |
> |
|
273 |
> |
if( optionError ){ |
274 |
> |
fprintf( stderr, |
275 |
> |
"\n" |
276 |
> |
"The -i flag should end an option sequence.\n" |
277 |
> |
" example: -ri <int> *NOT* -ir <int>\n" ); |
278 |
> |
usage(); |
279 |
> |
exit(0); |
280 |
> |
} |
281 |
> |
|
282 |
> |
i++; |
283 |
> |
if( i>=argC ){ |
284 |
> |
fprintf( stderr, |
285 |
> |
"\n" |
286 |
> |
"not enough arguments for -i\n"); |
287 |
> |
usage(); |
288 |
> |
exit(0); |
289 |
> |
} |
290 |
> |
|
291 |
> |
iVal = (int)strtol( argV[i], &conversionCheck, 10 ); |
292 |
> |
if( conversionCheck == argV[i] ) conversionError = 1; |
293 |
> |
if( *conversionCheck != '\0' ) conversionError = 1; |
294 |
> |
|
295 |
> |
if( conversionError ){ |
296 |
> |
|
297 |
> |
fprintf( stderr, |
298 |
> |
"Error converting \"%s\" to a int\n", argV[i] ); |
299 |
> |
usage(); |
300 |
> |
exit(0); |
301 |
> |
} |
302 |
> |
|
303 |
> |
done = 1; |
304 |
> |
|
305 |
|
break; |
306 |
|
|
307 |
|
default: |
308 |
|
|
309 |
< |
(void)fprintf(stderr, "Bad option \"-%c\"\n", current_flag); |
309 |
> |
(void)fprintf(stderr, |
310 |
> |
"\n" |
311 |
> |
"Bad option \"-%c\"\n", currentFlag); |
312 |
|
usage(); |
313 |
|
} |
314 |
|
j++; |
315 |
< |
current_flag = argv[i][j]; |
315 |
> |
currentFlag = argV[i][j]; |
316 |
|
} |
317 |
|
} |
318 |
|
} |
319 |
|
|
320 |
|
else{ |
321 |
|
|
322 |
< |
if( in_name != NULL ){ |
322 |
> |
|
323 |
> |
// ******************************************************** |
324 |
> |
// for only a single input file, leave this as it is. |
325 |
> |
// ******************************************************** |
326 |
> |
|
327 |
> |
// if( inName != NULL ){ |
328 |
> |
// fprintf( stderr, |
329 |
> |
// "\n" |
330 |
> |
// "Error at \"%s\", program does not currently support\n" |
331 |
> |
// "more than one input file.\n" |
332 |
> |
// "\n", |
333 |
> |
// argV[i]); |
334 |
> |
// usage(); |
335 |
> |
// exit(0); |
336 |
> |
// } |
337 |
> |
|
338 |
> |
// inName = argV[i]; |
339 |
> |
|
340 |
> |
// ************************************************************* |
341 |
> |
|
342 |
> |
|
343 |
> |
// ************************************************************ |
344 |
> |
// To support more than one input file, uncomment the following |
345 |
> |
// section. |
346 |
> |
// ************************************************************ |
347 |
> |
|
348 |
> |
|
349 |
> |
nInputs++; |
350 |
> |
currentName = (linkedName *) malloc( sizeof( linkedName ) ); |
351 |
> |
if( currentName == NULL ){ |
352 |
|
fprintf( stderr, |
353 |
< |
"Error at \"%s\", program does not currently support\n" |
354 |
< |
"more than one input file.\n" |
355 |
< |
"\n", |
136 |
< |
argv[i]); |
137 |
< |
usage(); |
353 |
> |
"\n" |
354 |
> |
"Ran out of memory\n" ); |
355 |
> |
exit(0); |
356 |
|
} |
357 |
< |
|
358 |
< |
in_name = argv[i]; |
357 |
> |
|
358 |
> |
strcpy( currentName->name, argV[i] ); |
359 |
> |
|
360 |
> |
currentName->next = headName; |
361 |
> |
headName = currentName; |
362 |
> |
|
363 |
> |
// ********************************************************** |
364 |
> |
// end multiple input files |
365 |
> |
// ********************************************************** |
366 |
|
} |
367 |
|
} |
368 |
|
|
369 |
< |
if(in_name == NULL){ |
369 |
> |
|
370 |
> |
|
371 |
> |
|
372 |
> |
// initialize the input file(s) |
373 |
> |
|
374 |
> |
// *********************************************************** |
375 |
> |
// single file: |
376 |
> |
|
377 |
> |
// if(inName == NULL){ |
378 |
> |
|
379 |
> |
// fprintf( stderr, |
380 |
> |
// "\n" |
381 |
> |
// "Error, no input file was given\n"); |
382 |
> |
// usage(); |
383 |
> |
// exit(0); |
384 |
> |
// } |
385 |
> |
|
386 |
> |
// inFile = fopen( inName, "r" ); |
387 |
> |
// if( inFile == NULL ){ |
388 |
> |
|
389 |
> |
// fprintf( stderr, |
390 |
> |
// "\n" |
391 |
> |
// "Error trying to open \"%s\" for reading\n", |
392 |
> |
// inName ); |
393 |
> |
// exit(0); |
394 |
> |
// } |
395 |
> |
|
396 |
> |
// ************************************************************** |
397 |
> |
// multiple files: |
398 |
> |
|
399 |
> |
if( !nInputs ){ |
400 |
> |
|
401 |
> |
fprintf( stderr, |
402 |
> |
"\n" |
403 |
> |
"Error, no input files were given\n"); |
404 |
|
usage(); |
405 |
+ |
exit(0); |
406 |
|
} |
407 |
|
|
408 |
< |
if( !have_prefix ) out_prefix = in_name; |
408 |
> |
// create the input array |
409 |
|
|
410 |
+ |
inputArray = (fileStruct *) calloc( nInputs, sizeof( fileStruct ) ); |
411 |
+ |
if( inputArray == NULL ){ |
412 |
+ |
fprintf(stderr, |
413 |
+ |
"\n" |
414 |
+ |
"Ran out of memory\n" ); |
415 |
+ |
exit(0); |
416 |
+ |
} |
417 |
+ |
|
418 |
+ |
j = nInputs - 1; |
419 |
+ |
currentName = headName; |
420 |
+ |
while( currentName != NULL ){ |
421 |
+ |
|
422 |
+ |
strcpy( inputArray[j].fileName, currentName->name ); |
423 |
+ |
inputArray[j].filePtr = NULL; |
424 |
+ |
j--; |
425 |
+ |
currentName = currentName->next; |
426 |
+ |
} |
427 |
+ |
|
428 |
+ |
// delete linked list |
429 |
+ |
|
430 |
+ |
while( headName != NULL ){ |
431 |
+ |
|
432 |
+ |
currentName = headName; |
433 |
+ |
headName = currentName->next; |
434 |
+ |
|
435 |
+ |
free( currentName ); |
436 |
+ |
} |
437 |
+ |
|
438 |
+ |
|
439 |
+ |
// open the files for reading |
440 |
+ |
|
441 |
+ |
for(i=0; i<nInputs; i++){ |
442 |
+ |
|
443 |
+ |
inputArray[i].filePtr = fopen( inputArray[i].fileName, "r" ); |
444 |
+ |
if( inputArray[i].filePtr == NULL ){ |
445 |
+ |
|
446 |
+ |
fprintf( stderr, |
447 |
+ |
"\n" |
448 |
+ |
"Error trying to open \"%s\" for reading\n", |
449 |
+ |
inputArray[i].fileName ); |
450 |
+ |
exit(0); |
451 |
+ |
} |
452 |
+ |
|
453 |
+ |
//read and do stuff here |
454 |
+ |
|
455 |
+ |
} |
456 |
+ |
|
457 |
+ |
// ************************************************************* |
458 |
+ |
// end file opening |
459 |
+ |
// ************************************************************* |
460 |
+ |
|
461 |
+ |
|
462 |
+ |
|
463 |
+ |
// or read and do stuff here. |
464 |
+ |
|
465 |
+ |
|
466 |
+ |
|
467 |
+ |
|
468 |
+ |
|
469 |
+ |
// close files when we are done. |
470 |
+ |
|
471 |
+ |
// *********************************************************** |
472 |
+ |
// single: |
473 |
+ |
|
474 |
+ |
// fclose( inFile ); |
475 |
+ |
|
476 |
+ |
// ************************************************************* |
477 |
+ |
// multiple: |
478 |
+ |
|
479 |
+ |
for( i=0; i<nInputs; i++){ |
480 |
+ |
|
481 |
+ |
fclose( inputArray[i].filePtr ); |
482 |
+ |
} |
483 |
+ |
|
484 |
+ |
free( inputArray ); // free the input Array if we are done; |
485 |
+ |
inputArray = NULL; |
486 |
+ |
|
487 |
+ |
// ************************************************************ |
488 |
+ |
// end file closing |
489 |
+ |
// ************************************************************ |
490 |
+ |
|
491 |
|
} |
492 |
|
|
493 |
|
|
497 |
|
|
498 |
|
void usage(){ |
499 |
|
(void)fprintf(stdout, |
500 |
+ |
"\n" |
501 |
|
"The proper usage is: %s [options] <input_file>\n" |
502 |
|
"\n" |
503 |
|
"Options:\n" |
507 |
|
" -h Display this message\n" |
508 |
|
" -o <name> The output name/prefix\n" |
509 |
|
" -r the r flag\n" |
510 |
< |
" -i <#> set number to <#>\n" |
510 |
> |
" -i <int> set number to <#>\n" |
511 |
|
|
512 |
|
"\n" |
513 |
|
" long:\n" |
514 |
|
" -----\n" |
515 |
|
" --flag1 <arg1> <arg2> does flag 1 for arg1 and 2\n" |
516 |
< |
" --flag2 <arg1> does flag 2 for arg1\n" |
516 |
> |
" --flag2 <double> does flag 2 for double\n" |
517 |
|
" --flag3 does flag 3\n" |
518 |
|
|
519 |
|
"\n" |
520 |
|
"\n", |
521 |
< |
program_name); |
522 |
< |
exit(8); |
521 |
> |
programName); |
522 |
> |
exit(0); |
523 |
|
} |