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/* Copyright (C) 2000 Damir Zucic */
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/*=============================================================================
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Draw atoms, using style 5 (7x7 circle).
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(1) Pointer to MolComplexS structure.
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(2) Number of macromolecular complexes.
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(3) Pointer to ConfigS structure, with configuration data.
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(4) Pointer to GUIS structure.
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(5) Pointer to NearestAtomS structure, with information about the
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atom occupying the given pixel.
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(6) The number of pixels in the main window free area.
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(7) The refreshI, used to check the NearestAtomS associated with
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(1) Atoms drawn to the hidden pixmap.
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(1) The number of atoms drawn.
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(1) Indentation is exceptionally 4 spaces.
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(2) The second index of indexAA and circle_maskAA is treated as
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row index. This is somewhat unusual, but more practical in
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=============================================================================*/
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#include <X11/Xutil.h>
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#include <X11/Xatom.h>
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/*======draw atoms using style 5 (7x7 circle):===============================*/
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size_t DrawAtomsStyle5_ (MolComplexS *mol_complexSP, int mol_complexesN,
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ConfigS *configSP, GUIS *guiSP,
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NearestAtomS *nearest_atomSP, size_t pixelsN,
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unsigned int refreshI)
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size_t atoms_drawnN = 0;
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int left_edge[2], right_edge[2];
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MolComplexS *curr_mol_complexSP;
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unsigned long colorIDA[3];
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static int indexAA[7][7] = {{0, 0, 1, 1, 2, 0, 0},
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{0, 0, 0, 0, 1, 2, 0},
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{1, 0, 0, 0, 1, 2, 2},
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/* Be sure to read Note 2 ! */ {1, 0, 0, 1, 1, 2, 2},
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{2, 1, 1, 1, 2, 2, 2},
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{0, 2, 2, 2, 2, 2, 0},
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{0, 0, 2, 2, 2, 0, 0}};
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int screen_x0, screen_y0;
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int i, j, screen_x, screen_y;
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static int circle_maskAA[7][7] = {{0, 0, 1, 1, 1, 0, 0},
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{0, 1, 1, 1, 1, 1, 0},
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{1, 1, 1, 1, 1, 1, 1},
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/* Be sure to read Note 2 ! */ {1, 1, 1, 1, 1, 1, 1},
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{1, 1, 1, 1, 1, 1, 1},
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{0, 1, 1, 1, 1, 1, 0},
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{0, 0, 1, 1, 1, 0, 0}};
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NearestAtomS *curr_pixelSP;
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double half_atomic_radius;
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int levelAA[7][7] = {{0, 0, 0, 0, 0, 0, 0},
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{0, 0, 1, 1, 1, 0, 0},
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{0, 1, 2, 2, 2, 1, 0},
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{0, 1, 2, 2, 2, 1, 0},
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{0, 1, 2, 2, 2, 1, 0},
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{0, 0, 1, 1, 1, 0, 0},
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{0, 0, 0, 0, 0, 0, 0}};
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/* Number of images: */
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if (configSP->stereoF) imagesN = 2;
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/* Left and right image edge (in stereo mode there are two images): */
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left_edge[0] = configSP->image_screen_x0[0];
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right_edge[0] = configSP->image_screen_x1[0];
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left_edge[1] = configSP->image_screen_x0[1];
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right_edge[1] = configSP->image_screen_x1[1];
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half_atomic_radius = 2.5 * configSP->screen_to_atomic_scale_x;
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/* Draw each macromolecular complex: */
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for (mol_complexI = 0; mol_complexI < mol_complexesN; mol_complexI++)
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/* Pointer to current macromolecular complex: */
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curr_mol_complexSP = mol_complexSP + mol_complexI;
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/* Prepare and check the number of atoms: */
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atomsN = curr_mol_complexSP->atomsN;
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if (atomsN == 0) continue;
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/* Draw atoms which have the given style: */
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for (atomI = 0; atomI < atomsN; atomI++)
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/* Pointer to the current atom: */
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curr_atomSP = curr_mol_complexSP->atomSP + atomI;
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if (curr_atomSP->raw_atomS.atom_styleI != 5) continue;
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/* Check is atom hidden: */
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if (curr_atomSP->hiddenF) continue;
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/* Check is atom inside slab: */
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if (!curr_atomSP->inside_slabF) continue;
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/* Check is atom inside window: */
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if (!curr_atomSP->inside_windowF) continue;
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/* Prepare colors: */
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colorIDA[0] = curr_atomSP->left_colorID;
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colorIDA[1] = curr_atomSP->middle_colorID;
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colorIDA[2] = curr_atomSP->right_colorID;
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/* Set these colors as foreground colors in three auxiliary GC's: */
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XSetForeground (guiSP->displaySP, guiSP->theGCA[0], colorIDA[0]);
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XSetForeground (guiSP->displaySP, guiSP->theGCA[1], colorIDA[1]);
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XSetForeground (guiSP->displaySP, guiSP->theGCA[2], colorIDA[2]);
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/* Reset the flag: */
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/* Draw one (mono) or two pixels (stereo): */
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for (imageI = 0; imageI < imagesN; imageI++)
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/* Prepare the coordinates and 7x7 box edge indices: */
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screen_x0 = curr_atomSP->raw_atomS.screen_x[imageI];
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screen_y0 = curr_atomSP->raw_atomS.screen_y;
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/* Horizontal scan of the neighbourhood: */
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for (i = 0; i < 7; i++)
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/* Vertical scan of the neighbourhood: */
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for (j = 0; j < 7; j++)
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/* Single pass loop: */
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/* Current pixel coordinates: */
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screen_x = screen_x0 + i - 3;
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screen_y = screen_y0 + j - 3;
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/* Check is the pixel inside the area */
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/* reserved for the current image (in */
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/* stereo mode there are two images): */
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if (screen_x < left_edge[imageI]) break;
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if (screen_x > right_edge[imageI]) break;
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/* Check the circle mask: */
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if (circle_maskAA[j][i] == 0) break;
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/* Prepare index to the array */
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/* of NearestAtomS structures: */
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pixelI = guiSP->main_win_free_area_width * screen_y +
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/* Check the pixel index: */
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if (pixelI >= pixelsN) break;
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/* Pointer to NearestAtomS struct. */
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/* assigned to current coordinates: */
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curr_pixelSP = nearest_atomSP + pixelI;
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/* Current atom z: */
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z = curr_atomSP->raw_atomS.z[imageI] +
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half_atomic_radius * (double) levelAA[j][i];
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/* Check was this pixel used already in */
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/* this drawing step; if it was, compare */
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/* the z value of the current atom with z */
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/* value previously stored to this pixel: */
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if (refreshI == curr_pixelSP->last_refreshI)
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if (z >= curr_pixelSP->z) break;
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/* Draw the pixel: */
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XDrawPoint (guiSP->displaySP,
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guiSP->main_hidden_pixmapID,
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guiSP->theGCA[indexAA[j][i]],
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/* Refresh the content of NearestAtomS */
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/* array associated with this pixel: */
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curr_pixelSP->styleI = 5;
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curr_pixelSP->last_refreshI = refreshI;
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curr_pixelSP->mol_complexI = mol_complexI;
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curr_pixelSP->atomI = atomI;
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curr_pixelSP->colorID = colorIDA[indexAA[j][i]];
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/*---------------------------------------------------------------------------*/
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/* Check is at least one pixel drawn; */
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/* increase the counter if it is true: */
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if (atom_drawnF != 0) atoms_drawnN++;
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/*===========================================================================*/
added
removed
atoms_style5.c
