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- Committer: Bazaar Package Importer
- Author(s): zhaoway
- Date: 2001-04-24 07:09:13 UTC
- Revision ID: james.westby@ubuntu.com-20010424070913-uzpupnwdfhmliebz
Tags: upstream-1.1
Import upstream version 1.1
- files added:
added
removed
draw_plots.c
1
/* Copyright (C) 2000 Damir Zucic */
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3
/*=============================================================================
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5
draw_plots.c
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Purpose:
8
Draw hydrophobicity plots. This function is used if the main win.
9
drawing mode is equal to four. The sequence stored to the sequence
10
buffer is used to calculate requested functions.
11
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Input:
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(1) Pointer to RuntimeS structure, with some runtime data.
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(2) Pointer to GUIS structure, with GUI data.
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(3) Pointer to NearestAtomS structure, with information about the
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atom occupying the given pixel.
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(4) The number of pixels in the main window free area.
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(5) The refreshI, used to check the NearestAtomS associated with
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a given pixel. It is currently unused in this function.
20
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Output:
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(1) Hydrophobicity plots should be drawn to the main window.
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(2) Return value.
24
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Return value:
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(1) The number of residues used in calculation.
27
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Notes:
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(1) The initial drawing destination is the hidden pixmap, and the
30
content of this pixmap is copied later to the main window.
31
32
(2) The residue index is stored as the atomic index. The function
33
value (averaged hydrophobicity, hydrophobic moment etc.) is
34
stored as z coordinate.
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36
========includes:============================================================*/
37
38
#include <stdio.h>
39
40
#include <string.h>
41
#include <math.h>
42
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#include <X11/Xlib.h>
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#include <X11/Xutil.h>
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#include <X11/Xos.h>
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#include <X11/Xatom.h>
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#include "defines.h"
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#include "typedefs.h"
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/*======function prototypes:=================================================*/
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int RefreshPixmap_ (Display *, Pixmap, GC,
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unsigned int, unsigned int, unsigned long);
55
int ParseColor_ (RGBS *, unsigned long *, GUIS *, char *, char *);
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/*======draw hydrophobicity plots:===========================================*/
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size_t DrawPlots_ (RuntimeS *runtimeSP, GUIS *guiSP,
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NearestAtomS *nearest_atomSP, size_t pixelsN,
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unsigned int refreshI)
62
{
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int residuesN, residueI; /* Do not use size_t instead of int ! */
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int used_residuesN;
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int serialI, range_startI, range_endI, residues_in_plotN = 0;
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int plotI = 0;
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int window_width, half_window_width, windowI, combinedI;
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double angle_step, angle;
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double hydrophobicity, averaged_hydrophobicity = 0;
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double min_average_hyphob, max_average_hyphob;
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double hydrophobic_moment, abs_squared, moment_x, moment_y;
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double min_hyphob_moment, max_hyphob_moment;
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int screen_width, screen_height;
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int screen_margin_x, screen_margin_top, screen_margin_bottom;
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int screen_delta_x, screen_delta_y;
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int residue_screen_width, half_residue_width;
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int residues_per_sectionN;
78
int sectionsN, sectionI;
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int section_width, section_height;
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int frame_x0, frame_x1, frame_y0, frame_y1;
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int section_y0;
82
unsigned long color1ID, color2ID, color3ID, color4ID;
83
RGBS rgbS;
84
double ordinate_min, ordinate_max, ordinate_range, ordinate_scale;
85
int local_residueI;
86
int screen_x0, screen_x1, screen_y0, screen_y1;
87
double d;
88
int residue_serialI;
89
char stringA[SHORTSTRINGSIZE];
90
int string_length;
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int text_height, text_ascent, text_width, half_text_width;
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int old_screen_y = 0, screen_x, screen_y;
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int draw_vertical_lineF = 0;
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size_t pixelI;
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NearestAtomS *curr_pixelSP;
96
int shift = 0;
97
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/*------prepare some parameters:---------------------------------------------*/
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/* The number of residues in sequence buffer: */
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residuesN = (int) runtimeSP->residuesN;
102
if (residuesN == 0)
103
{
104
strcpy (runtimeSP->messageA, "The sequence buffer is empty!");
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runtimeSP->message_length = strlen (runtimeSP->messageA);
106
return 0;
107
}
108
109
/* Paranoid check - at least one flag should be different from zero: */
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if ((runtimeSP->averaged_hydrophobicityF == 0) &&
111
(runtimeSP->hydrophobic_momentF == 0)) return 0;
112
113
/* Residue serial range: */
114
range_startI = runtimeSP->range_startI;
115
range_endI = runtimeSP->range_endI;
116
117
/* Count the number of residues in the specified range: */
118
for (residueI = 0; residueI < residuesN; residueI++)
119
{
120
/* Check is the residue serial index inside the range: */
121
serialI = *(runtimeSP->serialIP + residueI);
122
if ((serialI < range_startI) || (serialI > range_endI)) continue;
123
124
/* Increase the count of residues if current */
125
/* residue belongs to the specified range: */
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residues_in_plotN++;
127
}
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/* Check the number of residues in a plot: */
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if (residues_in_plotN == 0)
131
{
132
strcpy (runtimeSP->messageA, "The specified range is empty!");
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runtimeSP->message_length = strlen (runtimeSP->messageA);
134
return 0;
135
}
136
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/* The sliding window width: */
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window_width = runtimeSP->sliding_window_width;
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half_window_width = window_width / 2;
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/* The helix step angle: */
142
angle_step = DEG_TO_RAD * runtimeSP->helix_step_angle;
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/*------refresh the hidden pixmap:-------------------------------------------*/
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/* Refresh the hidden pixmap, where drawing will be done: */
147
RefreshPixmap_ (guiSP->displaySP,
148
guiSP->main_hidden_pixmapID,
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guiSP->theGCA[0],
150
guiSP->control_winS.x0, guiSP->input_winS.y0,
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guiSP->main_winS.bg_colorID);
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153
/*------calculate the averaged hydrophobicity:-------------------------------*/
154
155
/* Initialize the extreme values: */
156
min_average_hyphob = +999999;
157
max_average_hyphob = -999999;
158
159
/* Scan the sequence: */
160
for (residueI = 0; residueI < residuesN; residueI++)
161
{
162
/* Reset the number of residues used for averaging: */
163
used_residuesN = 0;
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/* Reset the averaged hydrophobicity: */
166
averaged_hydrophobicity = 0.0;
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168
/* Scan the sliding window: */
169
for (windowI = 0; windowI < window_width; windowI++)
170
{
171
/* Prepare and check the combined index: */
172
combinedI = residueI - half_window_width + windowI;
173
if (combinedI < 0) continue;
174
if (combinedI >= residuesN) continue;
175
176
/* The hydrophobicity of the residue defined by combinedI: */
177
hydrophobicity =
178
(double) *(runtimeSP->hydrophobicityP + combinedI);
179
180
/* Add hydrophobicity to the total: */
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averaged_hydrophobicity += hydrophobicity;
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183
/* Increase the number of residues used for averaging: */
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used_residuesN++;
185
}
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187
/* Check how many residues were used: */
188
if (used_residuesN == window_width)
189
{
190
averaged_hydrophobicity /= (double) window_width;
191
}
192
else averaged_hydrophobicity = 0.0;
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194
/* Store the average hydrophobicity: */
195
*(runtimeSP->averaged_hydrophobicityP + residueI) =
196
(float) averaged_hydrophobicity;
197
198
/* Dummy values should not be used to determine extremes: */
199
if (used_residuesN != window_width) continue;
200
201
/* Find the extreme values: */
202
if (averaged_hydrophobicity < min_average_hyphob)
203
{
204
min_average_hyphob = averaged_hydrophobicity;
205
}
206
if (averaged_hydrophobicity > max_average_hyphob)
207
{
208
max_average_hyphob = averaged_hydrophobicity;
209
}
210
}
211
212
/*------calculate the hydrophobic moment:------------------------------------*/
213
214
/* Initialize the extreme values: */
215
min_hyphob_moment = +999999;
216
max_hyphob_moment = -999999;
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218
/* Scan the sequence: */
219
for (residueI = 0; residueI < residuesN; residueI++)
220
{
221
/* Reset the number of residues used for calculation: */
222
used_residuesN = 0;
223
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/* Reset the projections: */
225
moment_x = 0.0;
226
moment_y = 0.0;
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/* Scan the sliding window: */
229
for (windowI = 0; windowI < window_width; windowI++)
230
{
231
/* Prepare and check the combined index: */
232
combinedI = residueI - half_window_width + windowI;
233
if (combinedI < 0) continue;
234
if (combinedI >= residuesN) continue;
235
236
/* The hydrophobicity of the residue defined by combinedI: */
237
hydrophobicity = *(runtimeSP->hydrophobicityP + combinedI);
238
239
/* The angle: */
240
angle = angle_step * (double) windowI;
241
242
/* Hydrophobic moment projections: */
243
moment_x += (double) hydrophobicity * cos (angle);
244
moment_y += (double) hydrophobicity * sin (angle);
245
246
/* Increase the number of residues used for calculation: */
247
used_residuesN++;
248
}
249
250
/* Calculate the hydrophobic moment: */
251
abs_squared = moment_x * moment_x + moment_y * moment_y;
252
if (used_residuesN == window_width)
253
{
254
hydrophobic_moment = sqrt (abs_squared) /
255
(double) window_width;
256
}
257
else hydrophobic_moment = 0.0;
258
259
/* Store the hydrophobic moment: */
260
*(runtimeSP->hydrophobic_momentP + residueI) =
261
(float) hydrophobic_moment;
262
263
/* Dummy values should not be used to determine extreme values: */
264
if (used_residuesN != window_width) continue;
265
266
/* Find the extreme values: */
267
if (hydrophobic_moment < min_hyphob_moment)
268
{
269
min_hyphob_moment = hydrophobic_moment;
270
}
271
if (hydrophobic_moment > max_hyphob_moment)
272
{
273
max_hyphob_moment = hydrophobic_moment;
274
}
275
}
276
277
/*------prepare geometric parameters:----------------------------------------*/
278
279
/* Width, height and margins (margins will be updated later): */
280
screen_width = guiSP->main_win_free_area_width;
281
screen_height = guiSP->main_win_free_area_height;
282
screen_margin_x = screen_width / 40;
283
if (screen_margin_x < 4) screen_margin_x = 4;
284
screen_margin_bottom = screen_height / 40;
285
if (screen_margin_bottom < 4) screen_margin_bottom = 4;
286
screen_margin_top = 2 * screen_margin_bottom + guiSP->main_winS.font_height;
287
screen_delta_x = screen_width - 2 * screen_margin_x;
288
if (screen_delta_x < 10) screen_delta_x = 10;
289
screen_delta_y = screen_height - screen_margin_top - screen_margin_bottom;
290
if (screen_delta_y < 10) screen_delta_y = 10;
291
292
/* Break the entire sequence range into more */
293
/* parts, if the number of residues is large: */
294
residue_screen_width = RESIDUE_WIDTH;
295
half_residue_width = residue_screen_width / 2;
296
if (residue_screen_width <= 0) return 0;
297
residues_per_sectionN = screen_delta_x / residue_screen_width;
298
if (residues_per_sectionN == 0) sectionsN = 1;
299
else sectionsN = (residues_in_plotN + residues_per_sectionN - 1) /
300
residues_per_sectionN;
301
302
/* The screen height should be divided into equal portions: */
303
if (sectionsN == 0) section_height = screen_delta_y;
304
else section_height = screen_delta_y / sectionsN;
305
306
/* Avoid ugly proportions: */
307
if (section_height / residue_screen_width > 80)
308
{
309
section_height = 80 * residue_screen_width;
310
}
311
312
/* Update plot width, height and margins: */
313
if (residues_in_plotN > residues_per_sectionN)
314
{
315
screen_delta_x = residues_per_sectionN * residue_screen_width;
316
}
317
else
318
{
319
screen_delta_x = residues_in_plotN * residue_screen_width;
320
}
321
screen_margin_x = (screen_width - screen_delta_x) / 2;
322
screen_margin_bottom = (screen_height -
323
section_height * sectionsN -
324
guiSP->main_winS.font_height) / 3;
325
if (screen_margin_bottom < 4) screen_margin_bottom = 4;
326
screen_margin_top = 2 * screen_margin_bottom + guiSP->main_winS.font_height;
327
328
/* Set the section width: */
329
section_width = screen_delta_x;
330
331
/*------draw frames:---------------------------------------------------------*/
332
333
/* Frame left and right edge: */
334
frame_x0 = screen_margin_x;
335
frame_x1 = frame_x0 + section_width;
336
337
/* Frame top and bottom edge: */
338
frame_y0 = screen_margin_top;
339
frame_y1 = screen_margin_top + sectionsN * section_height;
340
341
/* Prepare colors: */
342
ParseColor_ (&rgbS, &color1ID, guiSP, "RGB:3333/3333/3333", "black");
343
ParseColor_ (&rgbS, &color2ID, guiSP, "RGB:6666/6666/6666", "black");
344
ParseColor_ (&rgbS, &color3ID, guiSP, "RGB:AAAA/AAAA/AAAA", "white");
345
ParseColor_ (&rgbS, &color4ID, guiSP, "RGB:EEEE/EEEE/EEEE", "white");
346
XSetForeground (guiSP->displaySP, guiSP->theGCA[1], color1ID);
347
XSetForeground (guiSP->displaySP, guiSP->theGCA[2], color2ID);
348
XSetForeground (guiSP->displaySP, guiSP->theGCA[3], color3ID);
349
XSetForeground (guiSP->displaySP, guiSP->theGCA[4], color4ID);
350
XSetForeground (guiSP->displaySP, guiSP->theGCA[5], color3ID);
351
XSetForeground (guiSP->displaySP, guiSP->theGCA[6], color2ID);
352
XSetForeground (guiSP->displaySP, guiSP->theGCA[7], color1ID);
353
354
/* Draw vertical lines: */
355
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[1],
356
frame_x0 - 3, frame_y0 - 3, frame_x0 - 3, frame_y1 + 3);
357
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[2],
358
frame_x0 - 2, frame_y0 - 3, frame_x0 - 2, frame_y1 + 3);
359
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[3],
360
frame_x0 - 1, frame_y0 - 3, frame_x0 - 1, frame_y1 + 3);
361
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[4],
362
frame_x0 - 0, frame_y0 - 3, frame_x0 - 0, frame_y1 + 3);
363
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[5],
364
frame_x0 + 1, frame_y0 - 3, frame_x0 + 1, frame_y1 + 3);
365
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[6],
366
frame_x0 + 2, frame_y0 - 3, frame_x0 + 2, frame_y1 + 3);
367
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[7],
368
frame_x0 + 3, frame_y0 - 3, frame_x0 + 3, frame_y1 + 3);
369
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[1],
370
frame_x1 - 3, frame_y0 - 3, frame_x1 - 3, frame_y1 + 3);
371
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[2],
372
frame_x1 - 2, frame_y0 - 3, frame_x1 - 2, frame_y1 + 3);
373
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[3],
374
frame_x1 - 1, frame_y0 - 3, frame_x1 - 1, frame_y1 + 3);
375
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[4],
376
frame_x1 - 0, frame_y0 - 3, frame_x1 - 0, frame_y1 + 3);
377
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[5],
378
frame_x1 + 1, frame_y0 - 3, frame_x1 + 1, frame_y1 + 3);
379
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[6],
380
frame_x1 + 2, frame_y0 - 3, frame_x1 + 2, frame_y1 + 3);
381
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[7],
382
frame_x1 + 3, frame_y0 - 3, frame_x1 + 3, frame_y1 + 3);
383
384
/* Draw horizontal lines: */
385
for (sectionI = 0; sectionI <= sectionsN; sectionI++)
386
{
387
section_y0 = screen_margin_top + sectionI * section_height;
388
XDrawLine (guiSP->displaySP,
389
guiSP->main_hidden_pixmapID,
390
guiSP->theGCA[1],
391
frame_x0 + 3, section_y0 - 3,
392
frame_x1 - 3, section_y0 - 3);
393
XDrawLine (guiSP->displaySP,
394
guiSP->main_hidden_pixmapID,
395
guiSP->theGCA[2],
396
frame_x0 + 2, section_y0 - 2,
397
frame_x1 - 2, section_y0 - 2);
398
XDrawLine (guiSP->displaySP,
399
guiSP->main_hidden_pixmapID,
400
guiSP->theGCA[3],
401
frame_x0 + 1, section_y0 - 1,
402
frame_x1 - 1, section_y0 - 1);
403
XDrawLine (guiSP->displaySP,
404
guiSP->main_hidden_pixmapID,
405
guiSP->theGCA[4],
406
frame_x0 + 0, section_y0 - 0,
407
frame_x1 - 0, section_y0 - 0);
408
XDrawLine (guiSP->displaySP,
409
guiSP->main_hidden_pixmapID,
410
guiSP->theGCA[5],
411
frame_x0 + 1, section_y0 + 1,
412
frame_x1 - 1, section_y0 + 1);
413
XDrawLine (guiSP->displaySP,
414
guiSP->main_hidden_pixmapID,
415
guiSP->theGCA[6],
416
frame_x0 + 2, section_y0 + 2,
417
frame_x1 - 2, section_y0 + 2);
418
XDrawLine (guiSP->displaySP,
419
guiSP->main_hidden_pixmapID,
420
guiSP->theGCA[7],
421
frame_x0 + 3, section_y0 + 3,
422
frame_x1 - 3, section_y0 + 3);
423
}
424
425
/* Fix top and bottom of the frame: */
426
section_y0 = screen_margin_top;
427
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[1],
428
frame_x0 - 3, section_y0 - 3, frame_x1 + 3, section_y0 - 3);
429
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[2],
430
frame_x0 - 2, section_y0 - 2, frame_x1 + 2, section_y0 - 2);
431
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[3],
432
frame_x0 - 1, section_y0 - 1, frame_x1 + 1, section_y0 - 1);
433
section_y0 = screen_margin_top + sectionsN * section_height;
434
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[1],
435
frame_x0 - 3, section_y0 + 3, frame_x1 + 3, section_y0 + 3);
436
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[2],
437
frame_x0 - 2, section_y0 + 2, frame_x1 + 2, section_y0 + 2);
438
XDrawLine (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[3],
439
frame_x0 - 1, section_y0 + 1, frame_x1 + 1, section_y0 + 1);
440
441
/*------prepare ordinate extreme values and scale factor:--------------------*/
442
443
/* Prepare extreme values for the ordinate axis: */
444
ordinate_min = +999999;
445
ordinate_max = -999999;
446
if (runtimeSP->averaged_hydrophobicityF)
447
{
448
if (min_average_hyphob < ordinate_min)
449
{
450
ordinate_min = min_average_hyphob;
451
}
452
if (max_average_hyphob > ordinate_max)
453
{
454
ordinate_max = max_average_hyphob;
455
}
456
}
457
if (runtimeSP->hydrophobic_momentF)
458
{
459
if (min_hyphob_moment < ordinate_min)
460
{
461
ordinate_min = min_hyphob_moment;
462
}
463
if (max_hyphob_moment > ordinate_max)
464
{
465
ordinate_max = max_hyphob_moment;
466
}
467
}
468
469
/* Shift both values slightly for esthetic reasons: */
470
ordinate_range = ordinate_max - ordinate_min;
471
ordinate_min -= 0.15 * ordinate_range;
472
ordinate_max += 0.15 * ordinate_range;
473
474
/* Prepare the ordinate scale factor: */
475
ordinate_range = ordinate_max - ordinate_min;
476
if (ordinate_range != 0.0)
477
{
478
ordinate_scale = (double) section_height / ordinate_range;
479
}
480
else ordinate_scale = 0.0;
481
482
/*------draw vertical grid (every 10 residues):------------------------------*/
483
484
/* Initialize the plot index: */
485
plotI = 9;
486
487
/* Scan the sequence: */
488
for (residueI = 9; residueI < residuesN; residueI += 10)
489
{
490
/* Check is the residue serial index inside the range: */
491
serialI = *(runtimeSP->serialIP + residueI);
492
if ((serialI < range_startI) || (serialI > range_endI))
493
{
494
continue;
495
}
496
497
/* Prepare the position: */
498
sectionI = plotI / residues_per_sectionN;
499
local_residueI = plotI % residues_per_sectionN;
500
screen_x = screen_margin_x + local_residueI * residue_screen_width;
501
if ((screen_x >= frame_x1 - 3) || (screen_x <= frame_x0 + 3))
502
{
503
plotI += 10;
504
continue;
505
}
506
screen_y0 = screen_margin_top + (sectionI + 1) * section_height - 4;
507
screen_y1 = screen_margin_top + sectionI * section_height + 4;
508
509
/* Draw line: */
510
XDrawLine (guiSP->displaySP,
511
guiSP->main_hidden_pixmapID,
512
guiSP->theGCA[2],
513
screen_x, screen_y0, screen_x, screen_y1);
514
XDrawLine (guiSP->displaySP,
515
guiSP->main_hidden_pixmapID,
516
guiSP->theGCA[4],
517
screen_x + 1, screen_y0, screen_x + 1, screen_y1);
518
519
/* Update the plot index: */
520
plotI += 10;
521
}
522
523
/*------draw abscisa:--------------------------------------------------------*/
524
525
/* Left and right extent of the abscisa axis: */
526
screen_x0 = frame_x0 + 4;
527
screen_x1 = frame_x1 - 4;
528
529
/* Draw abscisa in each section: */
530
if ((ordinate_min < 0.0) && (ordinate_max > 0.0))
531
{
532
for (sectionI = 0; sectionI < sectionsN; sectionI++)
533
{
534
d = -ordinate_min * ordinate_scale;
535
screen_y0 = screen_margin_top +
536
(sectionI + 1) * section_height -
537
(int) d;
538
XDrawLine (guiSP->displaySP,
539
guiSP->main_hidden_pixmapID,
540
guiSP->theGCA[2],
541
screen_x0, screen_y0 + 1, screen_x1, screen_y0 + 1);
542
XDrawLine (guiSP->displaySP,
543
guiSP->main_hidden_pixmapID,
544
guiSP->theGCA[3],
545
screen_x0, screen_y0, screen_x1, screen_y0);
546
XDrawLine (guiSP->displaySP,
547
guiSP->main_hidden_pixmapID,
548
guiSP->theGCA[4],
549
screen_x0, screen_y0 - 1, screen_x1, screen_y0 - 1);
550
}
551
}
552
553
/*------draw labels:---------------------------------------------------------*/
554
555
/* Text height and ascent for the main window font: */
556
text_height = guiSP->main_winS.font_height;
557
text_ascent = guiSP->main_winS.fontSP->ascent;
558
559
/* Prepare the text color: */
560
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
561
guiSP->main_winS.fg_colorID);
562
563
/* Reset the plot index: */
564
plotI = 9;
565
566
/* Scan the sequence: */
567
for (residueI = 9; residueI < residuesN; residueI += 10)
568
{
569
/* Use the stored sequence index: */
570
residue_serialI = *(runtimeSP->serialIP + residueI);
571
572
/* Check is the residue serial index inside the range: */
573
if ((residue_serialI < range_startI) ||
574
(residue_serialI > range_endI))
575
{
576
continue;
577
}
578
579
/* Prepare section index and local residue index: */
580
sectionI = plotI / residues_per_sectionN;
581
local_residueI = plotI % residues_per_sectionN;
582
583
/* Prepare the label: */
584
sprintf (stringA, "%d", residue_serialI);
585
string_length = strlen (stringA);
586
text_width = XTextWidth (guiSP->main_winS.fontSP,
587
stringA, strlen (stringA));
588
half_text_width = text_width / 2;
589
590
/* Prepare the position where the label should be drawn: */
591
screen_x = screen_margin_x +
592
local_residueI * residue_screen_width -
593
half_text_width;
594
if ((screen_x >= frame_x1 - text_width - 3) ||
595
(screen_x <= frame_x0 + 3))
596
{
597
plotI += 10;
598
continue;
599
}
600
d = -ordinate_min * ordinate_scale;
601
screen_y = screen_margin_top + (sectionI + 1) * section_height - 5;
602
603
/* Draw the label: */
604
XDrawString (guiSP->displaySP,
605
guiSP->main_hidden_pixmapID,
606
guiSP->theGCA[0],
607
screen_x, screen_y,
608
stringA, strlen (stringA));
609
610
/* Update the plot index: */
611
plotI += 10;
612
}
613
614
/*------draw averaged hydrophobicity:----------------------------------------*/
615
616
if (runtimeSP->averaged_hydrophobicityF)
617
{
618
/* Prepare three colors for averaged hydrophobicity: */
619
ParseColor_ (&rgbS, &color1ID, guiSP, "RGB:FFFF/8888/8888", "white");
620
ParseColor_ (&rgbS, &color2ID, guiSP, "RGB:FFFF/0000/0000", "white");
621
ParseColor_ (&rgbS, &color3ID, guiSP, "RGB:8888/0000/0000", "black");
622
XSetForeground (guiSP->displaySP, guiSP->theGCA[1], color1ID);
623
XSetForeground (guiSP->displaySP, guiSP->theGCA[2], color2ID);
624
XSetForeground (guiSP->displaySP, guiSP->theGCA[3], color3ID);
625
626
/* Reset the plot index: */
627
plotI = 0;
628
629
/* Scan the sequence: */
630
for (residueI = 0; residueI <= residuesN; residueI++)
631
{
632
/* Check is the residue serial index inside the range: */
633
serialI = *(runtimeSP->serialIP + residueI);
634
if ((serialI < range_startI) || (serialI > range_endI))
635
{
636
continue;
637
}
638
639
/* Copy the averaged hydrophobicity: */
640
averaged_hydrophobicity =
641
(double) *(runtimeSP->averaged_hydrophobicityP +
642
residueI);
643
644
/* Prepare screen coordinates: */
645
sectionI = plotI / residues_per_sectionN;
646
local_residueI = plotI % residues_per_sectionN;
647
screen_x0 = screen_margin_x +
648
local_residueI * residue_screen_width -
649
half_residue_width - 1;
650
screen_x1 = screen_x0 + residue_screen_width + 2;
651
d = (averaged_hydrophobicity - ordinate_min) * ordinate_scale;
652
screen_y0 = screen_margin_top + sectionI * section_height;
653
screen_y1 = screen_y0 + section_height;
654
screen_y = screen_y1 - (int) d;
655
656
/* If residue is near the N or C term., draw nothing: */
657
local_residueI = plotI % residues_per_sectionN;
658
if ((plotI < half_window_width) ||
659
(plotI > residues_in_plotN - window_width))
660
{
661
old_screen_y = screen_y0;
662
plotI++;
663
continue;
664
}
665
666
/* Draw triple line: */
667
XDrawLine (guiSP->displaySP,
668
guiSP->main_hidden_pixmapID,
669
guiSP->theGCA[1],
670
screen_x0, screen_y - 1,
671
screen_x1, screen_y - 1);
672
XDrawLine (guiSP->displaySP,
673
guiSP->main_hidden_pixmapID,
674
guiSP->theGCA[2],
675
screen_x0, screen_y,
676
screen_x1, screen_y);
677
XDrawLine (guiSP->displaySP,
678
guiSP->main_hidden_pixmapID,
679
guiSP->theGCA[3],
680
screen_x0, screen_y + 1,
681
screen_x1, screen_y + 1);
682
683
/* Initialize the flag which says is */
684
/* it necessary to draw vertical line: */
685
draw_vertical_lineF = 1;
686
687
/* For the first residue in the current */
688
/* section do not draw vertical line: */
689
local_residueI = plotI % residues_per_sectionN;
690
if (local_residueI == 0)
691
{
692
old_screen_y = screen_y0;
693
draw_vertical_lineF = 0;
694
}
695
696
/* For the first visible residue, do not draw vertical line: */
697
if (plotI == half_window_width)
698
{
699
old_screen_y = screen_y;
700
draw_vertical_lineF = 0;
701
}
702
703
/* Check is it necessary to draw vertical line: */
704
if (old_screen_y == screen_y)
705
{
706
old_screen_y = screen_y;
707
draw_vertical_lineF = 0;
708
}
709
710
/* Prepare the shift which is required to draw corners; take */
711
/* the next res. if there is no need to draw vertical lines: */
712
if (old_screen_y < screen_y) shift = -1;
713
else shift = +1;
714
715
/* Draw three vertical lines: */
716
if (draw_vertical_lineF)
717
{
718
XDrawLine (guiSP->displaySP,
719
guiSP->main_hidden_pixmapID,
720
guiSP->theGCA[1],
721
screen_x0, old_screen_y - shift,
722
screen_x0, screen_y - shift);
723
XDrawLine (guiSP->displaySP,
724
guiSP->main_hidden_pixmapID,
725
guiSP->theGCA[2],
726
screen_x0 + 1, old_screen_y,
727
screen_x0 + 1, screen_y);
728
XDrawLine (guiSP->displaySP,
729
guiSP->main_hidden_pixmapID,
730
guiSP->theGCA[3],
731
screen_x0 + 2, old_screen_y + shift,
732
screen_x0 + 2, screen_y + shift);
733
}
734
735
/* Copy the y coordinate for later use: */
736
old_screen_y = screen_y;
737
738
/* Fill NearestAtomS array: */
739
for (screen_x = screen_x0 + 2;
740
screen_x <= screen_x1 - 1;
741
screen_x++)
742
{
743
for (screen_y = screen_y0;
744
screen_y <= screen_y1;
745
screen_y++)
746
{
747
/* Prepare index to the array */
748
/* of NearestAtomS structures: */
749
pixelI = guiSP->main_win_free_area_width *
750
screen_y + screen_x;
751
752
/* Check the pixel index: */
753
if (pixelI >= pixelsN) continue;
754
755
/* Pointer to NearestAtomS struct. */
756
/* assigned to current coordinates: */
757
curr_pixelSP = nearest_atomSP + pixelI;
758
759
/* Refresh NearestAtomS associated with */
760
/* this pixel; residue index is stored */
761
/* to location reserved for atom index. */
762
curr_pixelSP->last_refreshI = refreshI;
763
curr_pixelSP->atomI = residueI;
764
curr_pixelSP->z = averaged_hydrophobicity;
765
}
766
}
767
768
/* Update the plot index: */
769
plotI++;
770
}
771
}
772
773
/*------draw hydrophobic moment:---------------------------------------------*/
774
775
if (runtimeSP->hydrophobic_momentF)
776
{
777
/* Prepare three colors for hydrophobic moment: */
778
ParseColor_ (&rgbS, &color1ID, guiSP, "RGB:8888/DDDD/FFFF", "white");
779
ParseColor_ (&rgbS, &color2ID, guiSP, "RGB:0000/8888/FFFF", "white");
780
ParseColor_ (&rgbS, &color3ID, guiSP, "RGB:0000/4444/8888", "black");
781
XSetForeground (guiSP->displaySP, guiSP->theGCA[1], color1ID);
782
XSetForeground (guiSP->displaySP, guiSP->theGCA[2], color2ID);
783
XSetForeground (guiSP->displaySP, guiSP->theGCA[3], color3ID);
784
785
/* Reset the plot index: */
786
plotI = 0;
787
788
/* Scan the sequence: */
789
for (residueI = 0; residueI <= residuesN; residueI++)
790
{
791
/* Check is the residue serial index inside the range: */
792
serialI = *(runtimeSP->serialIP + residueI);
793
if ((serialI < range_startI) || (serialI > range_endI))
794
{
795
continue;
796
}
797
798
/* Copy the hydrophobic moment: */
799
hydrophobic_moment =
800
(double) *(runtimeSP->hydrophobic_momentP +
801
residueI);
802
803
/* Prepare screen coordinates: */
804
sectionI = plotI / residues_per_sectionN;
805
local_residueI = plotI % residues_per_sectionN;
806
screen_x0 = screen_margin_x +
807
local_residueI * residue_screen_width -
808
half_residue_width - 1;
809
screen_x1 = screen_x0 + residue_screen_width + 2;
810
d = (hydrophobic_moment - ordinate_min) * ordinate_scale;
811
812
screen_y0 = screen_margin_top + sectionI * section_height;
813
screen_y1 = screen_y0 + section_height;
814
screen_y = screen_y1 - (int) d;
815
816
/* If residue is near the N or C term., draw nothing: */
817
local_residueI = plotI % residues_per_sectionN;
818
if ((plotI < half_window_width) ||
819
(plotI > residues_in_plotN - window_width))
820
{
821
old_screen_y = screen_y;
822
plotI++;
823
continue;
824
}
825
826
/* Draw triple line: */
827
XDrawLine (guiSP->displaySP,
828
guiSP->main_hidden_pixmapID,
829
guiSP->theGCA[1],
830
screen_x0, screen_y - 1,
831
screen_x1, screen_y - 1);
832
XDrawLine (guiSP->displaySP,
833
guiSP->main_hidden_pixmapID,
834
guiSP->theGCA[2],
835
screen_x0, screen_y,
836
screen_x1, screen_y);
837
XDrawLine (guiSP->displaySP,
838
guiSP->main_hidden_pixmapID,
839
guiSP->theGCA[3],
840
screen_x0, screen_y + 1,
841
screen_x1, screen_y + 1);
842
843
/* Initialize the flag which says is */
844
/* it necessary to draw vertical line: */
845
draw_vertical_lineF = 1;
846
847
/* For the first residue in the current */
848
/* section do not draw vertical line: */
849
local_residueI = plotI % residues_per_sectionN;
850
if (local_residueI == 0)
851
{
852
old_screen_y = screen_y0;
853
draw_vertical_lineF = 0;
854
}
855
856
/* For the first visible residue, do not draw vertical line: */
857
if (plotI == half_window_width)
858
{
859
old_screen_y = screen_y;
860
draw_vertical_lineF = 0;
861
}
862
863
/* Check is it necessary to draw vertical line: */
864
if (old_screen_y == screen_y)
865
{
866
old_screen_y = screen_y;
867
draw_vertical_lineF = 0;
868
}
869
870
/* Prepare the shift which is required to draw corners; take */
871
/* the next res. if there is no need to draw vertical lines: */
872
if (old_screen_y < screen_y0) shift = -1;
873
else shift = +1;
874
875
/* Draw three vertical lines: */
876
if (draw_vertical_lineF)
877
{
878
XDrawLine (guiSP->displaySP,
879
guiSP->main_hidden_pixmapID,
880
guiSP->theGCA[1],
881
screen_x0, old_screen_y - shift,
882
screen_x0, screen_y - shift);
883
XDrawLine (guiSP->displaySP,
884
guiSP->main_hidden_pixmapID,
885
guiSP->theGCA[2],
886
screen_x0 + 1, old_screen_y,
887
screen_x0 + 1, screen_y);
888
XDrawLine (guiSP->displaySP,
889
guiSP->main_hidden_pixmapID,
890
guiSP->theGCA[3],
891
screen_x0 + 2, old_screen_y + shift,
892
screen_x0 + 2, screen_y + shift);
893
}
894
895
/* Copy the y coordinate for later use: */
896
old_screen_y = screen_y;
897
898
/* Fill NearestAtomS array: */
899
for (screen_x = screen_x0 + 2;
900
screen_x <= screen_x1 - 1;
901
screen_x++)
902
{
903
for (screen_y = screen_y0;
904
screen_y <= screen_y1;
905
screen_y++)
906
{
907
/* Prepare index to the array */
908
/* of NearestAtomS structures: */
909
pixelI = guiSP->main_win_free_area_width *
910
screen_y + screen_x;
911
912
/* Check the pixel index: */
913
if (pixelI >= pixelsN) continue;
914
915
/* Pointer to NearestAtomS struct. */
916
/* assigned to current coordinates: */
917
curr_pixelSP = nearest_atomSP + pixelI;
918
919
/* Refresh NearestAtomS associated with */
920
/* this pixel; residue index is stored */
921
/* to location reserved for atom index. */
922
curr_pixelSP->last_refreshI = refreshI;
923
curr_pixelSP->atomI = residueI;
924
curr_pixelSP->z = hydrophobic_moment;
925
}
926
}
927
928
/* Update the plot index: */
929
plotI++;
930
}
931
}
932
933
/*------copy the prepared image to the main window:--------------------------*/
934
935
/* Copy hidden pixmap to the main window: */
936
XCopyArea (guiSP->displaySP,
937
guiSP->main_hidden_pixmapID, guiSP->main_winS.ID,
938
guiSP->theGCA[0],
939
0, 0,
940
guiSP->main_win_free_area_width, guiSP->main_win_free_area_height,
941
0, 0);
942
943
return (size_t) residuesN;
944
}
945
946
/*===========================================================================*/
947
948
Loggerhead is a web-based interface for Breezy
Version: 2.0.1