File: atoms_style6.c

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/* Copyright (C) 2000-2002 Damir Zucic */

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

				atoms_style6.c

Purpose:
	Draw atoms, using style 6 (9x9 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 6 (9x9 circle):===============================*/

size_t DrawAtomsStyle6_ (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[9][9] = {{0, 0, 0, 1, 1, 2, 0, 0, 0},
					 {0, 1, 0, 0, 1, 1, 2, 2, 0},
					 {0, 0, 0, 0, 0, 1, 1, 2, 0},
					 {1, 0, 0, 0, 0, 1, 1, 2, 2},
	/* Be sure to read Note 2 ! */	 {1, 1, 0, 0, 1, 1, 1, 2, 2},
					 {2, 1, 1, 1, 1, 1, 2, 2, 2},
					 {0, 2, 1, 1, 1, 2, 2, 2, 0},
					 {0, 2, 2, 2, 2, 2, 2, 2, 0},
					 {0, 0, 0, 2, 2, 2, 0, 0, 0}};
int			atom_drawnF;
int			screen_x0, screen_y0;
int			i, j, screen_x, screen_y;
static int		circle_maskAA[9][9] =  {{0, 0, 0, 1, 1, 1, 0, 0, 0},
						{0, 1, 1, 1, 1, 1, 1, 1, 0},
						{0, 1, 1, 1, 1, 1, 1, 1, 0},
						{1, 1, 1, 1, 1, 1, 1, 1, 1},
	/* Be sure to read Note 2 ! */		{1, 1, 1, 1, 1, 1, 1, 1, 1},
						{1, 1, 1, 1, 1, 1, 1, 1, 1},
						{0, 1, 1, 1, 1, 1, 1, 1, 0},
						{0, 1, 1, 1, 1, 1, 1, 1, 0},
						{0, 0, 0, 1, 1, 1, 0, 0, 0}};
size_t			pixelI;
NearestAtomS		*curr_pixelSP;
double			z;
double			third_atomic_radius;
static int		levelAA[9][9] = {{0, 0, 0, 0, 0, 0, 0, 0, 0},
					 {0, 0, 0, 1, 1, 1, 0, 0, 0},
					 {0, 0, 1, 2, 2, 2, 1, 0, 0},
					 {0, 1, 2, 3, 3, 3, 2, 1, 0},
					 {0, 1, 2, 3, 3, 3, 2, 1, 0},
					 {0, 1, 2, 3, 3, 3, 2, 1, 0},
					 {0, 0, 1, 2, 2, 2, 1, 0, 0},
					 {0, 0, 0, 1, 1, 1, 0, 0, 0},
					 {0, 0, 0, 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: */
third_atomic_radius = 2.5 * 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 != 6) 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 9x9 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 < 9; i++)
		{
		/* Vertical scan of the neighbourhood: */
		for (j = 0; j < 9; j++)
		    {
		    /* Single pass loop: */
		    do
			{
			/* Current pixel coordinates: */
			screen_x = screen_x0 + i - 4;
			screen_y = screen_y0 + j - 4;

			/* 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] +
				third_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 = 6;
			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;
}

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