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
|
/* Copyright (C) 2001-2002 Damir Zucic */
/*=============================================================================
small_omega.c
Purpose:
Draw small plot showing the current omega angle with statistical
distribution of omega values. This plot is used while editing the
omega angle. The distribution was derived using a collection of
high resolution X-ray structures (1.00 angstroms or better). The
plot is placed to the bottom right corner.
Input:
(1) Pointer to MolComplexS structure.
(2) Pointer to RuntimeS structure.
(3) Pointer to GUIS structure.
Output:
(1) Small omega plot drawn to the hidden pixmap.
(2) Return value.
Return value:
(1) Positive on success.
(2) Negative on failure.
=============================================================================*/
#include <stdio.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 ParseColor_ (RGBS *, unsigned long *, GUIS *, char *, char *);
/*======draw small omega plot:===============================================*/
int SmallOmega_ (MolComplexS *mol_complexSP, RuntimeS *runtimeSP, GUIS *guiSP)
{
int residuesN, residueI;
int chosen_residue_foundF;
static ResidueS *residueSP;
size_t atom_startI, atom_endI;
static AtomS *first_atomSP;
int inner_width, inner_height, outer_width, outer_height;
int screen_x0, screen_y0, screen_x1, screen_y1;
RGBS rgbS;
unsigned long colorID;
static double peak1_xA[19] = {0.000, 0.054, 0.045, 0.040, 0.036,
0.030, 0.026, 0.020, 0.017, 0.015,
0.014, 0.011, 0.010, 0.007, 0.006,
0.004, 0.002, 0.001, 0.001};
static double peak1_yA[19] = {1.000, 1.000, 0.920, 0.850, 0.810,
0.770, 0.700, 0.670, 0.613, 0.558,
0.482, 0.392, 0.302, 0.251, 0.231,
0.206, 0.186, 0.161, 1.000};
static int peak1_pointsN = 19;
static double peak2_xA[6] = {0.521, 0.497, 0.474, 0.456, 0.432,
0.425};
static double peak2_yA[6] = {1.000, 0.980, 0.982, 0.982, 0.980,
1.000};
static int peak2_pointsN = 6;
static double peak3_xA[20] = {1.000, 0.999, 0.996, 0.994, 0.991,
0.990, 0.989, 0.987, 0.987, 0.983,
0.980, 0.977, 0.973, 0.971, 0.965,
0.962, 0.958, 0.951, 0.945, 0.938};
static double peak3_yA[20] = {1.000, 0.106, 0.025, 0.015, 0.050,
0.080, 0.126, 0.251, 0.362, 0.467,
0.603, 0.729, 0.814, 0.859, 0.905,
0.935, 0.960, 0.975, 0.985, 1.000};
static int peak3_pointsN = 20;
int pointI;
XPoint pointSA[30];
double d;
int omegaI;
/* Prepare and check the number of residues: */
residuesN = mol_complexSP->residuesN;
if (residuesN <= 0) return -1;
/* Find the residue to which the omega plot will be assigned: */
chosen_residue_foundF = 0;
for (residueI = 0; residueI < residuesN; residueI++)
{
/* Pointer to the current residue: */
residueSP = mol_complexSP->residueSP + residueI;
/* Prepare the atomic index range: */
atom_startI = residueSP->residue_startI;
atom_endI = residueSP->residue_endI;
/* Pointer to the first atom of the current residue: */
first_atomSP = mol_complexSP->atomSP + atom_startI;
/* Editing of a single omega angle requested: */
if (runtimeSP->edit_single_bondF)
{
/* Check the array index of N atom, it is assumed that */
/* it was stored as the second array index somewhere: */
if ((runtimeSP->atom2_arrayI >= atom_startI) &&
(runtimeSP->atom2_arrayI <= atom_endI))
{
chosen_residue_foundF = 1;
break;
}
}
/* Editing of omega for all selected residues requested: */
else
{
/* If the first atom of the current residue is */
/* selected, treat this residue as selected: */
if (first_atomSP->selectedF)
{
chosen_residue_foundF = 1;
break;
}
}
}
/* Check was residue found at all: */
if (!chosen_residue_foundF) return -2;
/* The width and height of the omega plot: */
inner_width = (int) guiSP->main_win_free_area_width - 11;
if (inner_width < 10) inner_width = 10;
inner_height = (int) guiSP->main_win_free_area_height / 8;
if (inner_height < 10) inner_height = 10;
outer_width = inner_width + 8;
outer_height = inner_height + 8;
/* The top left corner of the background square: */
screen_x0 = 1;
screen_y0 = guiSP->main_win_free_area_height - outer_height - 2;
/* Draw the filled square. Use a shade of orange color: */
ParseColor_ (&rgbS, &colorID, guiSP, "RGB:D8D8/B7B7/9999", "white");
XSetForeground (guiSP->displaySP, guiSP->theGCA[0], colorID);
XFillRectangle (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[0],
screen_x0, screen_y0,
outer_width, outer_height);
/* Draw the border, using the main window foreground color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0],
guiSP->main_winS.fg_colorID);
XDrawRectangle (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[0],
screen_x0, screen_y0,
outer_width, outer_height);
/* Draw peaks. */
/* Prepare a shade of blue: */
ParseColor_ (&rgbS, &colorID, guiSP, "RGB:2222/5555/DDDD", "white");
XSetForeground (guiSP->displaySP, guiSP->theGCA[0], colorID);
/* The XPoint structures for the first filled polygon: */
for (pointI = 0; pointI < peak1_pointsN; pointI++)
{
d = guiSP->main_win_free_area_width - outer_width + 2 +
inner_width * peak1_xA[pointI];
pointSA[pointI].x = (short) d;
d = guiSP->main_win_free_area_height - outer_height + 2 +
inner_height * peak1_yA[pointI];
pointSA[pointI].y = (short) d;
}
/* Draw the first filled polygon: */
XFillPolygon (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[0],
pointSA, peak1_pointsN, Nonconvex, CoordModeOrigin);
/* The XPoint structures for the second filled polygon: */
for (pointI = 0; pointI < peak2_pointsN; pointI++)
{
d = guiSP->main_win_free_area_width - outer_width + 2 +
inner_width * peak2_xA[pointI];
pointSA[pointI].x = (short) d;
d = guiSP->main_win_free_area_height - outer_height + 2 +
inner_height * peak2_yA[pointI];
pointSA[pointI].y = (short) d;
}
/* Draw the second filled polygon: */
XFillPolygon (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[0],
pointSA, peak2_pointsN, Nonconvex, CoordModeOrigin);
/* The XPoint structures for the third filled polygon: */
for (pointI = 0; pointI < peak3_pointsN; pointI++)
{
d = guiSP->main_win_free_area_width - outer_width + 2 +
inner_width * peak3_xA[pointI];
pointSA[pointI].x = (short) d;
d = guiSP->main_win_free_area_height - outer_height + 2 +
inner_height * peak3_yA[pointI];
pointSA[pointI].y = (short) d;
}
/* Draw the third filled polygon: */
XFillPolygon (guiSP->displaySP, guiSP->main_hidden_pixmapID, guiSP->theGCA[0],
pointSA, peak3_pointsN, Nonconvex, CoordModeOrigin);
/* Prepare black color: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0], guiSP->black_colorID);
/* Draw bounding rectangle: */
screen_x0 = guiSP->main_win_free_area_width - outer_width + 2;
screen_y0 = guiSP->main_win_free_area_height - outer_height + 2;
XDrawRectangle (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[0],
screen_x0, screen_y0,
inner_width, inner_height);
/* Draw vertical grid using the spacing of 90 degrees: */
screen_x0 = guiSP->main_win_free_area_width - outer_width + 2;
screen_y0 = guiSP->main_win_free_area_height - outer_height + 2;
screen_y1 = screen_y0 + inner_height;
for (omegaI = 0; omegaI <= 5; omegaI++)
{
d = (double) inner_width * ((double) omegaI * 0.25) + 0.5;
screen_x1 = screen_x0 + (int) d;
XDrawLine (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[0],
screen_x1, screen_y0,
screen_x1, screen_y1);
}
/* Draw the symbol at the position defined by the omega value. */
/* Prepare the symbol position: */
d = (double) inner_width * (residueSP->omega + 3.1415927) * 0.15915494;
screen_x0 = guiSP->main_win_free_area_width - outer_width + 2 + (int) d;
screen_y0 = guiSP->main_win_free_area_height - outer_height + 2;
/* Draw the inner part of the symbol (yellow): */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0], guiSP->yellow_colorID);
XFillRectangle (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[0],
screen_x0 - 1, screen_y0, 1, inner_height);
/* Draw the outer part of the symbol (red): */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0], guiSP->red_colorID);
XDrawRectangle (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[0],
screen_x0 - 2, screen_y0, 2, inner_height);
/* Return positive value on success: */
return 1;
}
/*===========================================================================*/
|