File: init.c

package info (click to toggle)
gdpc 2.2.5-14
  • links: PTS, VCS
  • area: main
  • in suites: bullseye, sid
  • size: 9,596 kB
  • sloc: ansic: 5,906; makefile: 141; sh: 55
file content (421 lines) | stat: -rw-r--r-- 16,562 bytes parent folder | download | duplicates (6)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
/*

gdpc - a program for visualising molecular dynamic simulations
Copyright (C) 2000 Jonas Frantz

    This file is part of gdpc.

    gdpc is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    gdpc is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with this program; if not, write to the Free Software
    Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA


Authors email : jonas.frantz@helsinki.fi

*/

#include <gtk/gtk.h>
#include <stdio.h>
#include <string.h>
#include "parameters.h"

									
/************************************************************************/
/* This function is called if the help parameter has been given. 	*/
/* It prints a helppage for the usage of gdpc.				*/
/************************************************************************/ 
void printhelp() 
{
    printf("\n");
    printf(" Usage: gdpc [Options] <xcol> <ycol> <zcol> <tcol> <input-file>\n");
    printf("    Options:\n");
    printf("\ts <xpixels> <ypixels>  Set drawable screenarea (default: 600 600)\n");
    printf("\tcube <distance>        Set the volume to be drawn, distance from origo\n");
    printf("\t                       in all directions\n");
    printf("\tm <0/1/2>              Set drawingmode to use(default: 1)\n");
    printf("\td <pixels>             Set drawingradius of each atom (default: 2)\n");
    printf("\tx <xcoord> <xcoord>    Set the size to be drawn in x-direction\n");
    printf("\ty <ycoord> <ycoord>    Set the size to be drawn in y-direction\n");
    printf("\tz <zcoord> <zcoord>    Set the size to be drawn in z-direction\n");
    printf("\tsleep <seconds>        Set the minimum time between frames\n");
    printf("\tbsleep                 Wait for middle mousebutton click on pixmap\n");
    printf("\t                       or space key key press in window before showing\n");
    printf("\t                       the next frame\n");
    printf("\terase                  Clear drawable area after each frame (default: off)\n");
    printf("\tw                      Use white background (default: off)\n");
    printf("\tf <colnum> <string>    Just process linues with <string> in <colnum>\n");
    printf("\tgreyscale              Use greyscale colorset\n");
    printf("\tcolorinv               Use inverted colors\n");
    printf("\tcoldcolors             Use cold colorset\n");
    printf("\tcoldcolors2            Use cold colorset 2\n");
    printf("\tv <1/2>                Vary atomsize according to z-column data\n");
    printf("\tsortr                  Sort atoms in reverse order\n");
    printf("\tusetypes               Color atoms depending on their type.\n");
    printf("\ttimedel <delim>        Set the delimiter for the time in xyz header.\n");
    printf("\tpngdump <name>         Dumps an image of each frame, see below\n");
    printf("\tjpgdump <name>         Dumps an image of each frame, see below\n");
    printf("\tdumpnum                Dumped images are named after framenumber.\n");
    printf("\tonce                   Exit automatically after all frames has been shown.\n");
    printf("\trotate <x> <y> <z>     Use initial <x>, <>y and <z> rotations\n");
    printf("\txyz                    Input file is in xyz format (default: off)\n");
    printf("\n");
    printf(" The drawingmodes are :          0 plain rectangles\n");
    printf("                                 1 plain circles\n");
    printf("                                 2 rendered balls\n");
    printf(" Varying of the size modes are : 1 Size decreases with z\n");
    printf("                                 2 Size increases with z\n\n");
    printf(" - If neither cube,x,y or z maxsize is determined by input coordinates.\n");
    printf(" - Atoms are automatically sorted by x, y and z.\n");
    printf(" - The filename given to the pngdump/jpgdump parameter should be given without\n");
    printf("   extension, gdpc adds the time or number of the frame and the extension to\n");
    printf("   the end of the filename.\n");
    printf(" - If input file is in xyz format the t column will be ignored\n");
    printf(" - The usetypes parameter is not relevant if not used with xyz input file, and\n");
    printf("   will then be ignored.\n");
    printf(" - The only mandatory parameters are the column representations and the input\n");
    printf("   file.\n");
    printf(" - To read input data from stdin set filename to _\n");
    printf("\n");
    printf(" Original idea from dpc by Kai Nordlund.\n\n");
}

									
/************************************************************************/
/* This function handles the parameters given at the command line, and	*/
/* sets the variables accordingly.					*/
/************************************************************************/
gboolean handleargs(int args, char **argv, struct GlobalParams *params) 
{
gint argl=0, inttmp, control;
gchar c[64];
double tmp;
gboolean setxcol, setycol, setzcol, settcol, setfile;

    setxcol = FALSE;
    setycol = FALSE;
    setzcol = FALSE;
    settcol = FALSE;
    setfile = FALSE;

    while (args-1>argl) {
	strncpy(c,argv[argl+1],strlen(argv[argl+1]));
	c[strlen(argv[argl+1])] = '\0';

	if (!strcmp(c,"s") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%d",&(params->absxsize));      
	    if (control==0) {
		printf("First parameter is invalid or missing for option: s\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    control=sscanf(argv[argl+3],"%d",&(params->absysize));      
	    if (control==0) {
		printf("Second parameter is invalid or missing for option: s\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if (params->absxsize<100 || params->absysize<100) {
		printf("The window should be at least 100*100 pixels.\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=3;
	}
	else if (!strcmp(c,"x") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%lf",&(params->xmin));
	    if (control==0) {
		printf("First parameter is invalid or missing for option: x\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    control=sscanf(argv[argl+3],"%lf",&(params->xmax));
	    if (control==0) {
		printf("Second parameter is invalid or missing for option: x\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if(params->xmin>=params->xmax) {
		printf("xmin must be smaller than xmax!\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=3;
	}
	else if (!strcmp(c,"y") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%lf",&(params->ymin));      
	    if (control==0) {
		printf("First parameter is invalid or missing for option: y\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    control=sscanf(argv[argl+3],"%lf",&(params->ymax));
	    if (control==0) {
		printf("Second parameter is invalid or missing for option: y\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if(params->ymin>=params->ymax) {
		printf("ymin must be smaller than ymax!\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=3;
	}
	else if (!strcmp(c,"z") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%lf",&(params->zmin));      
	    if (control==0) {
		printf("First parameter is invalid or missing for option: z\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    control=sscanf(argv[argl+3],"%lf",&(params->zmax));
	    if (control==0) {
		printf("Second parameter is invalid for or missing option: z\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if(params->zmin>=params->zmax) {
		printf("zmin must be smaller than zmax!\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=3;
	}
	else if (!strcmp(c,"cube") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%lf",&tmp);
	    if(control==0) {
		printf("Invalid or missing parameter for option: cube\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if(tmp<=0.0) {
		printf("cube value must be larger than 0.0!\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if(params->xmin==65535.0) { 
		params->xmin = -tmp;
		params->xmax = tmp;
	    }
	    if(params->ymin==65535.0) { 
		params->ymin = -tmp;
		params->ymax = tmp;
	    }
	    if(params->zmin==65535.0) {
		params->zmin = -tmp;
		params->zmax = tmp;	
	    }
	    argl+=2;
	}
	else if (!strcmp(c,"timedel") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%s",params->timedelim);
	    if(control==0) {
		printf("Invalid or missing parameter for option: timedel\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=2;
	}
	else if (!strcmp(c,"erase") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->erase = TRUE; 
	    argl++; 
	}
	else if (!strcmp(c,"w") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->whitebg = TRUE;
	    argl++; 
	}
	else if (!strcmp(c,"colorinv") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->colorset = 1; 
	    argl++; 
	}
	else if (!strcmp(c,"coldcolors") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->colorset = 2; 
	    argl++; 
	}
	else if (!strcmp(c,"coldcolors2") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->colorset = 3; 
	    argl++; 
	}
	else if (!strcmp(c,"greyscale") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->colorset = 4; 
	    argl++; 
	}         
	else if (!strcmp(c,"sort") && !setxcol && !setycol && !setzcol && !settcol) { 
	    params->sort = 1;
	    argl++; 
	}
	else if (!strcmp(c,"sortr") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->sort = 2;
	    argl++; 
	}
	else if (!strcmp(c,"xyz") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->fxyz = TRUE;
	    argl++; 
	}
	else if (!strcmp(c,"dumpnum") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->dumpnum = TRUE; 
	    argl++; 
	}
	else if (!strcmp(c,"m") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%d",&(params->mode));
	    if (control==0) {
		printf("Invalid or missing parameter for option: m\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if (params->mode>2 || params->mode<0) {
		printf("Unknown drawingmode : %d\n",params->mode);
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=2;
	}      
	else if (!strcmp(c,"d") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%d",&(params->radius));
	    if(control==0) {
		printf("Invalid or missing parameter for option: d\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if (params->radius<2) params->radius = 2;
	    if (params->radius>25) params->radius = 25;
	    argl+=2;
	}
	else if (!strcmp(c,"sleep") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%lf",&tmp);
	    if (control==0) {
		printf("Invalid or missing parameter for option: sleep\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=2;
	    params->interval=(gint) 1000*tmp;
//	    if (params->interval < 0) params->interval = 0;
	}
	else if (!strcmp(c,"v") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%d",&(params->vary));
	    if (control==0) {
		printf("Invalid or missing parameter for option: v\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if (params->vary>2 || params->vary<1) {
		printf("Vary has only two valid modes: 1 or 2 !\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    argl+=2;
	}
	else if (!strcmp(c,"f") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%d",&(params->scol));
	    if (control==0) {
		printf("Invalid or missing parameter for option: f\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    if (params->scol<1) {
		printf("Column must be greater than zero!\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    sscanf(argv[argl+3],"%s",params->fstring);
	    argl+=3;
	}
	else if (!strcmp(c,"pngdump") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%s",params->dumpname);
	    if (control==0) {
		printf("Invalid or missing parameter for option: tifdump\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    params->tifjpg=TRUE;
	    argl+=2;
	}
	else if (!strcmp(c,"jpgdump") && !setxcol && !setycol && !setzcol && !settcol) {
	    control=sscanf(argv[argl+2],"%s",params->dumpname);
	    if (control==0) {
		printf("Invalid or missing parameter for option: jpgdump\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    params->tifjpg=FALSE;
	    argl+=2;
	}
	else if (!strcmp(c,"usetypes") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->usetypes=TRUE;
	    argl++;
	}	
	else if (!strcmp(c,"bsleep") && !setxcol && !setycol && !setzcol && !settcol) {
	    params->mbsleep=TRUE;
	    argl++;
	}	
	else if (!strcmp(c,"help") && !setxcol && !setycol && !setzcol && !settcol) {
	    printhelp();
	    return FALSE;
	}
        else if (!strcmp(c,"once")  && !setxcol && !setycol && !setzcol && !settcol) {
          params->once=TRUE;
          argl++;
        }
        else if (!strcmp(c,"rotate")  && !setxcol && !setycol && !setzcol && !settcol) {
          sscanf(argv[argl+2], "%lf", &params->iangle);
          sscanf(argv[argl+3], "%lf", &params->jangle);
          sscanf(argv[argl+4], "%lf", &params->kangle);
          argl+=4;
        }
	else if (sscanf(c,"%d",&inttmp)>0 && (!setxcol || !setycol || !setzcol || !settcol)) {
	    if (!setxcol) {
		params->xcolumn = inttmp;
		setxcol=TRUE;
	    }
	    else if (!setycol) {
		params->ycolumn = inttmp;
		setycol=TRUE;
	    }
	    else if (!setzcol) {
		params->zcolumn = inttmp;
		setzcol=TRUE;
	    }
	    else if (!settcol) {
		params->tcolumn = inttmp;
		settcol=TRUE;
	    }
	    argl++;
	}
	else if (setxcol && setycol && setzcol && settcol) {
	    control=sscanf(c,"%s",params->file);
	    if (control==0) {
		printf("Invalid or missing filename for input\n");
	    	printf("Use option 'help' for list of all valid command line parameters\n"); 
		return FALSE;
	    }
	    setfile=TRUE;
	    argl+=1;
	    break;
	}
	else {
	    printf("Unknown option: %s\n",c);
	    printf("Please check your command line arguments.\n");
	    printf("Use option 'help' for list of all valid command line parameters\n"); 
	    return FALSE;
	}
    }

    if (!params->fxyz) params->usetypes=FALSE;
    if (setxcol && setycol && setzcol && settcol && setfile) return TRUE;
    else {
	printf("You at least have to specify input data columns and input file if\n");
	printf("you're going to start gdpc from the commandline.\n\n");
    }
return FALSE;
}