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/* Copyright (C) 2000-2002 Damir Zucic */
/*=============================================================================
atoms_style4.c
Purpose:
Draw atoms, using style 4 (5x5 circle).
Input:
(1) Pointer to MolComplexS structure.
(2) Number of macromolecular complexes.
(3) Pointer to ConfigS structure, with configuration data.
(4) Pointer to GUIS structure.
(5) Pointer to NearestAtomS structure, with information about the
atom occupying the given pixel.
(6) The number of pixels in the main window free area.
(7) The refreshI, used to check the NearestAtomS associated with
a given pixel.
Output:
(1) Atoms drawn to the hidden pixmap.
(2) Return value.
Return value:
(1) The number of atoms drawn.
Notes:
(1) Indentation is exceptionally 4 spaces.
(2) The second index of indexAA and circle_maskAA is treated as
row index. This is somewhat unusual, but more practical in
this function.
=============================================================================*/
#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"
/*======draw atoms using style 4 (5x5 circle):===============================*/
size_t DrawAtomsStyle4_ (MolComplexS *mol_complexSP, int mol_complexesN,
ConfigS *configSP, GUIS *guiSP,
NearestAtomS *nearest_atomSP, size_t pixelsN,
unsigned int refreshI)
{
size_t atoms_drawnN = 0;
int imageI, imagesN;
int left_edge[2], right_edge[2];
int mol_complexI;
MolComplexS *curr_mol_complexSP;
size_t atomsN, atomI;
AtomS *curr_atomSP;
unsigned long colorIDA[3];
static int indexAA[5][5] = {{0, 1, 1, 2, 0},
{1, 0, 0, 1, 2},
/* Be sure to read Note 2 ! */ {1, 0, 0, 1, 2},
{2, 1, 1, 2, 2},
{0, 2, 2, 2, 0}};
int atom_drawnF;
int screen_x0, screen_y0;
int i, j, screen_x, screen_y;
static int circle_maskAA[5][5] = {{0, 1, 1, 1, 0},
{1, 1, 1, 1, 1},
/* Be sure to read Note 2 ! */ {1, 1, 1, 1, 1},
{1, 1, 1, 1, 1},
{0, 1, 1, 1, 0}};
size_t pixelI;
NearestAtomS *curr_pixelSP;
double z;
double atomic_radius;
static int levelAA[5][5] = {{0, 0, 0, 0, 0},
{0, 1, 1, 1, 0},
{0, 1, 1, 1, 0},
{0, 1, 1, 1, 0},
{0, 0, 0, 0, 0}};
int bondI;
/* Initialize the bond index. The negative value means that pixels */
/* filled in this function are not a part of any chemical bond. */
bondI = -1;
/* Number of images: */
if (configSP->stereoF) imagesN = 2;
else imagesN = 1;
/* Left and right image edge (in stereo mode there are two images): */
left_edge[0] = configSP->image_screen_x0[0];
right_edge[0] = configSP->image_screen_x1[0];
left_edge[1] = configSP->image_screen_x0[1];
right_edge[1] = configSP->image_screen_x1[1];
/* Atomic radius: */
atomic_radius = 3.0 * configSP->screen_to_atomic_scale_x;
/* Draw each macromolecular complex: */
for (mol_complexI = 0; mol_complexI < mol_complexesN; mol_complexI++)
{
/* Pointer to current macromolecular complex: */
curr_mol_complexSP = mol_complexSP + mol_complexI;
/* Prepare and check the number of atoms: */
atomsN = curr_mol_complexSP->atomsN;
if (atomsN == 0) continue;
/* Draw atoms which have the given style: */
for (atomI = 0; atomI < atomsN; atomI++)
{
/* Pointer to the current atom: */
curr_atomSP = curr_mol_complexSP->atomSP + atomI;
/* Check style: */
if (curr_atomSP->raw_atomS.atom_styleI != 4) continue;
/* Check is atom hidden: */
if (curr_atomSP->hiddenF) continue;
/* Check is atom inside slab: */
if (!curr_atomSP->inside_slabF) continue;
/* Check is atom inside window: */
if (!curr_atomSP->inside_windowF) continue;
/* Prepare colors: */
colorIDA[0] = curr_atomSP->left_colorID;
colorIDA[1] = curr_atomSP->middle_colorID;
colorIDA[2] = curr_atomSP->right_colorID;
/* Set these colors as foreground colors in three auxiliary GC's: */
XSetForeground (guiSP->displaySP, guiSP->theGCA[0], colorIDA[0]);
XSetForeground (guiSP->displaySP, guiSP->theGCA[1], colorIDA[1]);
XSetForeground (guiSP->displaySP, guiSP->theGCA[2], colorIDA[2]);
/* Reset the flag: */
atom_drawnF = 0;
/* Draw one (mono) or two pixels (stereo): */
for (imageI = 0; imageI < imagesN; imageI++)
{
/* Prepare the coordinates and 5x5 box edge indices: */
screen_x0 = curr_atomSP->raw_atomS.screen_x[imageI];
screen_y0 = curr_atomSP->raw_atomS.screen_y;
/* Horizontal scan of the neighbourhood: */
for (i = 0; i < 5; i++)
{
/* Vertical scan of the neighbourhood: */
for (j = 0; j < 5; j++)
{
/* Single pass loop: */
do
{
/* Current pixel coordinates: */
screen_x = screen_x0 + i - 2;
screen_y = screen_y0 + j - 2;
/* Check is the pixel inside the area */
/* reserved for the current image (in */
/* stereo mode there are two images): */
if (screen_x < left_edge[imageI]) break;
if (screen_x >= right_edge[imageI]) break;
/* Check the circle mask: */
if (circle_maskAA[j][i] == 0) break;
/* Prepare index to the array */
/* of NearestAtomS structures: */
pixelI = guiSP->main_win_free_area_width * screen_y +
screen_x;
/* Check the pixel index: */
if (pixelI >= pixelsN) break;
/* Pointer to NearestAtomS struct. */
/* assigned to current coordinates: */
curr_pixelSP = nearest_atomSP + pixelI;
/* Current atom z: */
z = curr_atomSP->raw_atomS.z[imageI] +
atomic_radius * (double) levelAA[j][i];
/* Check was this pixel used already in */
/* this drawing step; if it was, compare */
/* the z value of the current atom with z */
/* value previously stored to this pixel: */
if (refreshI == curr_pixelSP->last_refreshI)
{
if (z >= curr_pixelSP->z) break;
}
/* Draw the pixel: */
XDrawPoint (guiSP->displaySP,
guiSP->main_hidden_pixmapID,
guiSP->theGCA[indexAA[j][i]],
screen_x, screen_y);
/* Refresh the content of NearestAtomS */
/* array associated with this pixel: */
curr_pixelSP->styleI = 4;
curr_pixelSP->last_refreshI = refreshI;
curr_pixelSP->mol_complexI = mol_complexI;
curr_pixelSP->atomI = atomI;
curr_pixelSP->bondI = bondI;
curr_pixelSP->z = z;
curr_pixelSP->colorID = colorIDA[indexAA[j][i]];
/* Set the flag: */
atom_drawnF = 1;
} while (0);
}
}
}
/*---------------------------------------------------------------------------*/
/* Check is at least one pixel drawn; */
/* increase the counter if it is true: */
if (atom_drawnF != 0) atoms_drawnN++;
}
}
return atoms_drawnN;
}
/*===========================================================================*/
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