File: wheel_top_view.c

package info (click to toggle)
garlic 1.6-1.1
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd, stretch, wheezy
  • size: 4,440 kB
  • ctags: 1,403
  • sloc: ansic: 52,465; makefile: 1,134
file content (491 lines) | stat: -rw-r--r-- 15,537 bytes parent folder | download | duplicates (5)
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
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
/* Copyright (C) 2000-2003 Damir Zucic */

/*=============================================================================

				wheel_top_view.c

Purpose:
	Draw  the helical wheel counterclockwise.  This wheel corresponds
	to the top view of the helix.

Input:
	(1) Pointer to RuntimeS structure, with some runtime data.
	(2) Pointer to GUIS structure, with GUI data.
	(3) Pointer to NearestAtomS structure, with information about the
	    atom occupying the given pixel.
	(4) The number of pixels in the main window free area.
	(5) The refreshI, used to check the  NearestAtomS associated with
	    a given pixel. It is currently unused in this function.

Output:
	(1) Helical wheel drawn counterclockwise to the main window.
	(2) Return value.

Return value:
	(1) The number of residues used to prepare the helical wheel.

Notes:
	(1) The initial drawing destination is the hidden pixmap, and the
	    content of this pixmap is  copied  later to  the main window.

	(2) Labels (residue names) are drawn for the last 18 residues.

========includes:============================================================*/

#include <stdio.h>

#include <string.h>
#include <math.h>

#include <X11/Xlib.h>
#include <X11/Xutil.h>
#include <X11/Xos.h>
#include <X11/Xatom.h>

#include "defines.h"
#include "typedefs.h"

/*======function prototypes:=================================================*/

int		RefreshPixmap_ (Display *, Pixmap, GC,
				unsigned int, unsigned int, unsigned long);
int		ParseColor_ (RGBS *, unsigned long *, GUIS *, char *, char *);
double		Hydrophobicity_ (char *, int, int);
unsigned long	WeightColors_ (unsigned long, unsigned long, double, GUIS *);
int		DrawTitles_ (RuntimeS *, GUIS *);

/*======draw helical wheel counterclockwise:=================================*/

size_t WheelTopView_ (RuntimeS *runtimeSP, GUIS *guiSP,
		      NearestAtomS *nearest_atomSP, size_t pixelsN,
		      unsigned int refreshI)
{
int		max_length;
int		residuesN, residueI;
RGBS		rgbS;
unsigned long	phob_colorID, neutral_colorID, phil_colorID;
int		scaleI;
double		min_hyphob, max_hyphob, threshold_hyphob;
double		delta_hyphob1, delta_hyphob2;
double		inverse_range1, inverse_range2;
char		*residue_nameP;
char		residue_nameA[RESNAMESIZE];
double		hyphob;
double		scale_factor;
unsigned long	residue_colorID;
int		square_width, screen_margin, screen_radius, half_screen_radius;
int		screen_x0, screen_y0;
int		screen_x1, screen_y1, screen_x2, screen_y2;
int		width, height;
int		helix_step, arc_start, arc_extent, arc_center;
int		serialI, range_startI, range_endI, residues_in_wheelN = 0;
int		wheelI = 0;
double		angle, delta_x, delta_y;
int		label_length;
char		labelA[SHORTSTRINGSIZE];
int		text_width, text_height;
int		ref_angle;
int		inner_screen_radius, thickness1, thickness2;
double		alpha0, delta_alpha, alpha1, alpha2;
XPoint		pointSA[7];
unsigned long	far_colorID, near_colorID;

/* The number of residues in sequence buffer: */
residuesN = runtimeSP->residuesN;
if (residuesN == 0)
	{
	strcpy (runtimeSP->messageA, "The sequence buffer is empty!");
	runtimeSP->message_length = strlen (runtimeSP->messageA);
	return 0;
	}

/* The wheel_clockwiseF decides in which direction the sequence should be scanned: */

/* The maximal residue name length: */
max_length = RESNAMESIZE - 1;

/* Residue array index range: */
range_startI = runtimeSP->range_startI;
range_endI   = runtimeSP->range_endI;

/* Count the number of residues in the specified range: */
for (residueI = 0; residueI < residuesN; residueI++)
	{
	/* Check is the residue array index inside the range: */
	if ((residueI < range_startI) || (residueI > range_endI)) continue;

	/* Increase the count of residues if current */
	/* residue  belongs to  the specified range: */
	residues_in_wheelN++;
	}

/* Check the number of residues in a wheel: */
if (residues_in_wheelN == 0)
	{
	strcpy (runtimeSP->messageA, "The specified range is empty!");
	runtimeSP->message_length = strlen (runtimeSP->messageA);
	return 0;
	}

/* Refresh the hidden pixmap, where drawing will be done: */
RefreshPixmap_ (guiSP->displaySP,
		guiSP->main_hidden_pixmapID,
		guiSP->theGCA[0],
		guiSP->control_winS.x0, guiSP->input_winS.y0,
		guiSP->main_winS.bg_colorID);

/*------draw arcs:-----------------------------------------------------------*/

/* Initialize colors used for hydrophobicity: */
ParseColor_ (&rgbS, &phob_colorID,    guiSP, "RGB:FFFF/0000/0000", "white");
ParseColor_ (&rgbS, &neutral_colorID, guiSP, "RGB:FFFF/FFFF/FFFF", "white");
ParseColor_ (&rgbS, &phil_colorID,    guiSP, "RGB:0000/0000/FFFF", "black");

/* Hydrophobicity scale index: */
scaleI = runtimeSP->hydrophobicity_scaleI;

/* Minimal, maximal and threshold hydrophobicity for current complex: */
min_hyphob =       Hydrophobicity_ ("", scaleI, 1);
max_hyphob =       Hydrophobicity_ ("", scaleI, 2);
threshold_hyphob = Hydrophobicity_ ("", scaleI, 4);

/* Inverse hydrophobicity ranges: */
delta_hyphob1 = max_hyphob - threshold_hyphob;
if (delta_hyphob1 != 0.0) inverse_range1 = 1.0 / delta_hyphob1;
else inverse_range1 = 0.0;
delta_hyphob2 = threshold_hyphob - min_hyphob;
if (delta_hyphob2 != 0.0) inverse_range2 = 1.0 / delta_hyphob2;
else inverse_range2 = 0.0;

/* Prepare geometric parameters: */
square_width = guiSP->main_win_free_area_height;
if ((int) guiSP->main_win_free_area_width < square_width)
	{
	square_width = guiSP->main_win_free_area_width;
	}
screen_margin = guiSP->main_winS.text_line_height +
		guiSP->main_winS.text_line_height / 2 + 2;
screen_radius = square_width / 2 - screen_margin;
if (screen_radius < 0) screen_radius = square_width / 2;
half_screen_radius = screen_radius / 2;
screen_x1 = guiSP->main_win_free_area_width  / 2;
screen_y1 = guiSP->main_win_free_area_height / 2;
screen_x0 = screen_x1 - screen_radius;
screen_y0 = screen_y1 - screen_radius;
width = 2 * screen_radius;
height = width;

/* Prepare the helix step angle (degrees * 64): */
helix_step = runtimeSP->helix_step_angle * 64;

/* Prepare the arc extent angle, (degrees * 64): */
arc_extent = (int) runtimeSP->arc_angle * 64;

/* Initialize the arc start angle, (degrees * 64): */
arc_start = 5760 - arc_extent / 2;

/* Prepare the text color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
		guiSP->main_winS.fg_colorID);

/* Prepare the arc edge color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[1], guiSP->black_colorID);

/* Scan the sequence: */
for (residueI = 0; residueI < residuesN; residueI++)
	{
	/* Pointer to the current residue name: */
	residue_nameP = runtimeSP->sequenceP + residueI * max_length;

	/* Check is the residue array index inside the range: */
	if ((residueI < range_startI) || (residueI > range_endI)) continue;

	/* Copy the residue name: */
	strncpy (residue_nameA, residue_nameP, max_length);
	residue_nameA[max_length] = '\0';

	/* The corresponding hydrophobicity: */
	hyphob = Hydrophobicity_ (residue_nameA, scaleI, 0);

	/* If hydrophobicity is below the threshold value: */
	if (hyphob <= threshold_hyphob)
		{
		scale_factor = (threshold_hyphob - hyphob) * inverse_range2;
		residue_colorID = WeightColors_ (neutral_colorID, phil_colorID,
						 scale_factor, guiSP);
		}

	/* If hydrophobicity is above the threshold value: */
	else
		{
		scale_factor = (hyphob - threshold_hyphob) * inverse_range1;
		residue_colorID = WeightColors_ (neutral_colorID, phob_colorID,
						 scale_factor, guiSP);
		}

	/* Prepare the color: */
	XSetForeground (guiSP->displaySP, guiSP->theGCA[2], residue_colorID);

	/* Draw filled arc: */
	XFillArc (guiSP->displaySP,
		  guiSP->main_hidden_pixmapID,
		  guiSP->theGCA[2],
		  screen_x0, screen_y0,
		  width, height,
		  arc_start, arc_extent);

	/* Draw the outer arc edge: */
	XDrawArc (guiSP->displaySP,
		  guiSP->main_hidden_pixmapID,
		  guiSP->theGCA[1],
		  screen_x0, screen_y0,
		  width, height,
		  arc_start, arc_extent);

	/* Draw two straight lines from the arc origin to the edge: */
	angle = DEG_TO_RAD * (double) arc_start / 64.0;
	delta_x = (double) screen_radius * cos (angle);
	delta_y = (double) screen_radius * sin (angle);
	delta_y *= -1;
	screen_x2 = screen_x1 + (int) delta_x;
	screen_y2 = screen_y1 + (int) delta_y;
	XDrawLine (guiSP->displaySP,
		   guiSP->main_hidden_pixmapID,
		   guiSP->theGCA[1],
		   screen_x1, screen_y1,
		   screen_x2, screen_y2);
	angle = DEG_TO_RAD * (double) (arc_start + arc_extent) / 64.0;
	delta_x = (double) screen_radius * cos (angle);
	delta_y = (double) screen_radius * sin (angle);
	delta_y *= -1;
	screen_x2 = screen_x1 + (int) delta_x;
	screen_y2 = screen_y1 + (int) delta_y;
	XDrawLine (guiSP->displaySP,
		   guiSP->main_hidden_pixmapID,
		   guiSP->theGCA[1],
		   screen_x1, screen_y1,
		   screen_x2, screen_y2);

	/* Draw labels for the last 18 residues (not for all!): */
	if (residues_in_wheelN - wheelI <= 18)
		{
		arc_center = arc_start + arc_extent / 2;
		angle = DEG_TO_RAD * (double) arc_center / 64.0;
		delta_x = (double) screen_radius * cos (angle);
		delta_y = (double) screen_radius * sin (angle);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		serialI = *(runtimeSP->serialIP + residueI);
		sprintf (labelA, "%d:%s", serialI, residue_nameA);
		label_length = strlen (labelA);
		text_width = XTextWidth (guiSP->main_winS.fontSP,
					 labelA, label_length);
		text_height = guiSP->main_winS.font_height;
		if (screen_x2 < screen_x1) screen_x2 -= text_width - 1;
		if (screen_y2 > screen_y1) screen_y2 += text_height;
		else screen_y2 -= 2;
		XDrawString (guiSP->displaySP,
			     guiSP->main_hidden_pixmapID,
			     guiSP->theGCA[0],
			     screen_x2, screen_y2,
			     labelA, label_length);
		}

	/* Update the arc start angle: */
	arc_start += helix_step;
	if (arc_start > 23040) arc_start = arc_start - 23040;

	/* Update the wheel index: */
	wheelI++;
	}

/*------draw the hole in the wheel center:-----------------------------------*/

/* Prepare geometric parameters: */
screen_x0 = guiSP->main_win_free_area_width  / 2 - half_screen_radius;
screen_y0 = guiSP->main_win_free_area_height / 2 - half_screen_radius;
width = 2 * half_screen_radius;
height = width;
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
		guiSP->main_winS.bg_colorID);
XFillArc (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[0],
	  screen_x0, screen_y0, width, height, 0, 23040);

/*------draw polygons which represent backbone:------------------------------*/

/* This should be done only if angle is not equal to zero: */

if (helix_step != 0)
	{
	/* Prepare far and near color: */
	ParseColor_ (&rgbS, &far_colorID, guiSP,
		     "RGB:4444/4444/4444", "white");
	ParseColor_ (&rgbS, &near_colorID, guiSP,
		     "RGB:FFFF/FFFF/FFFF", "white");
	if (residuesN < 3)
		{
		ParseColor_ (&rgbS, &far_colorID, guiSP,
			     "RGB:AAAA/AAAA/AAAA", "white");
		}

	/* Prepare the polygon edge color: */
	XSetForeground (guiSP->displaySP,
			guiSP->theGCA[2],
			guiSP->black_colorID);

	/* Prepare half of the helix step angle in radians: */
	delta_alpha = DEG_TO_RAD * (double) helix_step / 128.0;

	/* Prepare the inner radius: */
	inner_screen_radius = half_screen_radius * cos (delta_alpha);

	/* Prepare two thickness parameters: */
	thickness1 = screen_radius / 10;
	if (thickness1 < 4) thickness1 = 4;
	thickness2 = thickness1 * cos (delta_alpha);
	if (thickness2 == 0) thickness2 = thickness1;

	/* Initialize the reference angle (X11 units): */
	ref_angle = 5760;

	/* Reset the wheel index: */
	wheelI = 0;

	/* Scan the sequence again: */
	for (residueI = 0; residueI < residuesN; residueI++)
		{
		/* Check is this array index inside the range: */
		if ((residueI < range_startI) || (residueI > range_endI))
			{
			continue;
			}

		/* Convert the reference angle to radians: */
		alpha0 = DEG_TO_RAD * (double) ref_angle / 64.0;

		/* Prepare two additional angles: */
		alpha1 = alpha0 - delta_alpha;
		alpha2 = alpha0 + delta_alpha;

		/* Now prepare seven points. */

		/* The first point: */
		delta_x = (double) half_screen_radius * cos (alpha0);
		delta_y = (double) half_screen_radius * sin (alpha0);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		pointSA[0].x = (short) screen_x2;
		pointSA[0].y = (short) screen_y2;

		/* The second point: */
		delta_x = (double) inner_screen_radius * cos (alpha1);
		delta_y = (double) inner_screen_radius * sin (alpha1);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		pointSA[1].x = (short) screen_x2;
		pointSA[1].y = (short) screen_y2;

		/* The third point: */
		delta_x = (double) (inner_screen_radius + thickness2) *
			  cos (alpha1);
		delta_y = (double) (inner_screen_radius + thickness2) *
			  sin (alpha1);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		pointSA[2].x = (short) screen_x2;
		pointSA[2].y = (short) screen_y2;

		/* The fourth point: */
		delta_x = (double) (half_screen_radius + thickness1) *
			  cos (alpha0);
		delta_y = (double) (half_screen_radius + thickness1) *
			  sin (alpha0);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		pointSA[3].x = (short) screen_x2;
		pointSA[3].y = (short) screen_y2;

		/* The fifth point: */
		delta_x = (double) (inner_screen_radius + thickness2) *
			  cos (alpha2);
		delta_y = (double) (inner_screen_radius + thickness2) *
			  sin (alpha2);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		pointSA[4].x = (short) screen_x2;
		pointSA[4].y = (short) screen_y2;

		/* The sixth point: */
		delta_x = (double) inner_screen_radius * cos (alpha2);
		delta_y = (double) inner_screen_radius * sin (alpha2);
		delta_y *= -1;
		screen_x2 = screen_x1 + (int) delta_x;
		screen_y2 = screen_y1 + (int) delta_y;
		pointSA[5].x = (short) screen_x2;
		pointSA[5].y = (short) screen_y2;

		/* The seventh point is a copy of the first point: */
		pointSA[6].x = pointSA[0].x;
		pointSA[6].y = pointSA[0].y;

		/* Prepare the polygon interior color: */
		if (residues_in_wheelN > 1)
			{
			scale_factor = (double) wheelI /
				       (double) (residues_in_wheelN - 1);
			}
		else scale_factor = 0.0;
                residue_colorID = WeightColors_ (far_colorID, near_colorID,
						 scale_factor, guiSP);
		XSetForeground (guiSP->displaySP,
				guiSP->theGCA[2],
				residue_colorID);

		/* Draw the filled polygon: */
		XFillPolygon (guiSP->displaySP,
			      guiSP->main_hidden_pixmapID,
			      guiSP->theGCA[2],
			      pointSA, 6, Complex, CoordModeOrigin);

		/* Draw the polygon edge: */
		XDrawLines (guiSP->displaySP,
			    guiSP->main_hidden_pixmapID,
			    guiSP->theGCA[1],
			    pointSA, 7, CoordModeOrigin);

	        /* Update the reference angle (X11 units): */
		ref_angle += helix_step;
		if (ref_angle > 23040) ref_angle = ref_angle - 23040;

		/* Update the wheel index: */
		wheelI++;
		}
	}

/*------draw titles:---------------------------------------------------------*/

/* Draw titles: */
DrawTitles_ (runtimeSP, guiSP);

/*------copy the prepared image to the main window:--------------------------*/

/* Copy hidden pixmap to the main window: */
XCopyArea (guiSP->displaySP,
	   guiSP->main_hidden_pixmapID, guiSP->main_winS.ID,
	   guiSP->theGCA[0],
	   0, 0,
	   guiSP->main_win_free_area_width, guiSP->main_win_free_area_height,
	   0, 0);

return (size_t) residuesN;
}

/*===========================================================================*/