X-Git-Url: http://git.hungrycats.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=hacks%2Fglx%2Fmolecule.c;h=3720294cb51ab925d427f3aa149eb502f12a6dc9;hb=6f5482d73adb0165c0130bb47d852644ab0c4869;hp=d75735229c86722fb39fce2aa17e37fe9f0ab3de;hpb=c1b9b55ad8d59dc05ef55e316aebf5863e7dfa56;p=xscreensaver diff --git a/hacks/glx/molecule.c b/hacks/glx/molecule.c index d7573522..3720294c 100644 --- a/hacks/glx/molecule.c +++ b/hacks/glx/molecule.c @@ -1,4 +1,4 @@ -/* molecule, Copyright (c) 2001-2006 Jamie Zawinski +/* molecule, Copyright (c) 2001-2012 Jamie Zawinski * Draws molecules, based on coordinates from PDB (Protein Data Base) files. * * Permission to use, copy, modify, distribute, and sell this software and its @@ -12,7 +12,10 @@ /* Documentation on the PDB file format: + http://en.wikipedia.org/wiki/Protein_Data_Bank_%28file_format%29 http://www.wwpdb.org/docs.html + http://www.wwpdb.org/documentation/format32/v3.2.html + http://www.wwpdb.org/documentation/format32/sect9.html http://www.rcsb.org/pdb/file_formats/pdb/pdbguide2.2/guide2.2_frame.html Good source of PDB files: @@ -21,10 +24,17 @@ http://www.wwpdb.org/docs.html */ +#ifdef HAVE_GLBITMAP +# define ATOM_FONT "-*-helvetica-medium-r-normal-*-180-*" +#else +# define ATOM_FONT "-*-helvetica-medium-r-normal-*-240-*" +#endif + #define DEFAULTS "*delay: 10000 \n" \ "*showFPS: False \n" \ "*wireframe: False \n" \ - "*atomFont: -*-helvetica-medium-r-normal-*-240-*\n" \ + "*atomFont: " ATOM_FONT "\n" \ + "*atomFont2: -*-helvetica-bold-r-normal-*-80-*\n" \ "*titleFont: -*-helvetica-medium-r-normal-*-180-*\n" \ "*noLabelThreshold: 30 \n" \ "*wireframeThreshold: 150 \n" \ @@ -62,8 +72,8 @@ #define DEF_MOLECULE "(default)" #define DEF_VERBOSE "False" -#define SPHERE_SLICES 24 /* how densely to render spheres */ -#define SPHERE_STACKS 12 +#define SPHERE_SLICES 48 /* how densely to render spheres */ +#define SPHERE_STACKS 24 #define SMOOTH_TUBE /* whether to have smooth or faceted tubes */ @@ -73,9 +83,9 @@ # define TUBE_FACES 8 #endif -#define SPHERE_SLICES_2 7 -#define SPHERE_STACKS_2 4 -#define TUBE_FACES_2 3 +#define SPHERE_SLICES_2 14 +#define SPHERE_STACKS_2 8 +#define TUBE_FACES_2 6 # ifdef __GNUC__ @@ -83,11 +93,16 @@ ISO C89 compilers are required to support" when includng the following data file... */ # endif -const char * const builtin_pdb_data[] = { +static const char * const builtin_pdb_data[] = { # include "molecules.h" }; +#ifndef USE_IPHONE +# define LOAD_FILES +#endif + + typedef struct { const char *name; GLfloat size, size2; @@ -101,10 +116,10 @@ typedef struct { and their approximate size in angstroms. */ static const atom_data all_atom_data[] = { - { "H", 1.17, 0.40, "#FFFFFF", "#B3B3B3", { 0, }}, + { "H", 1.17, 0.40, "#FFFFFF", "#000000", { 0, }}, { "C", 1.75, 0.58, "#999999", "#FFFFFF", { 0, }}, { "CA", 1.80, 0.60, "#0000FF", "#ADD8E6", { 0, }}, - { "N", 1.55, 0.52, "#A2B5CD", "#836FFF", { 0, }}, + { "N", 1.55, 0.52, "#A2B5CD", "#EE99FF", { 0, }}, { "O", 1.40, 0.47, "#FF0000", "#FFB6C1", { 0, }}, { "P", 1.28, 0.43, "#9370DB", "#DB7093", { 0, }}, { "S", 1.80, 0.60, "#8B8B00", "#FFFF00", { 0, }}, @@ -156,8 +171,14 @@ typedef struct { GLuint molecule_dlist; GLuint shell_dlist; - XFontStruct *xfont1, *xfont2; - GLuint font1_dlist, font2_dlist; +# ifdef HAVE_GLBITMAP + XFontStruct *xfont1, *xfont2, *xfont3; + GLuint font1_dlist, font2_dlist, font3_dlist; +# else + texture_font_data *font1_data, *font2_data, *font3_data; +# endif + + int polygon_count; time_t draw_time; @@ -254,8 +275,15 @@ static void load_fonts (ModeInfo *mi) { molecule_configuration *mc = &mcs[MI_SCREEN(mi)]; +# ifdef HAVE_GLBITMAP load_font (mi->dpy, "atomFont", &mc->xfont1, &mc->font1_dlist); - load_font (mi->dpy, "titleFont", &mc->xfont2, &mc->font2_dlist); + load_font (mi->dpy, "atomFont2", &mc->xfont2, &mc->font2_dlist); + load_font (mi->dpy, "titleFont", &mc->xfont3, &mc->font3_dlist); +# else + mc->font1_data = load_texture_font (mi->dpy, "atomFont"); + mc->font2_data = load_texture_font (mi->dpy, "atomFont2"); + mc->font3_data = load_texture_font (mi->dpy, "titleFont"); +# endif } @@ -330,6 +358,16 @@ set_atom_color (ModeInfo *mi, const molecule_atom *a, gl_color[3] = alpha; + /* If we're not drawing atoms, and the color is black, use white instead. + This is a kludge so that H can have black text over its white ball, + but the text still shows up if balls are off. + */ + if (font_p && !do_atoms && + gl_color[0] == 0 && gl_color[1] == 0 && gl_color[2] == 0) + { + gl_color[0] = gl_color[1] = gl_color[2] = 1; + } + if (font_p) glColor4f (gl_color[0], gl_color[1], gl_color[2], gl_color[3]); else @@ -455,7 +493,6 @@ draw_bounding_box (ModeInfo *mi) glVertex3f(x2, y2, z2); glVertex3f(x2, y2, z1); glEnd(); - glPushAttrib (GL_LIGHTING); glDisable (GL_LIGHTING); glColor3f (c2[0], c2[1], c2[2]); @@ -468,7 +505,8 @@ draw_bounding_box (ModeInfo *mi) glVertex3f(0, 0, z1); glVertex3f(0, 0, z2); glEnd(); - glPopAttrib(); + if (!wire) + glEnable (GL_LIGHTING); } @@ -751,13 +789,26 @@ parse_pdb_data (molecule *m, const char *data, const char *filename, int line) else if (!strncmp (s, "ATOM ", 7)) { int id; + const char *end = strchr (s, '\n'); + int L = end - s; char *name = (char *) calloc (1, 4); GLfloat x = -999, y = -999, z = -999; if (1 != sscanf (s+7, " %d ", &id)) parse_error (filename, line, s); + /* Use the "atom name" field if that is all that is available. */ strncpy (name, s+12, 3); + + /* But prefer the "element" field. */ + if (L > 77 && !isspace(s[77])) { + /* fprintf(stderr, " \"%s\" -> ", name); */ + name[0] = s[76]; + name[1] = s[77]; + name[2] = 0; + /* fprintf(stderr, "\"%s\"\n", name); */ + } + while (isspace(*name)) name++; ss = name + strlen(name)-1; while (isspace(*ss) && ss > name) @@ -838,6 +889,7 @@ parse_pdb_data (molecule *m, const char *data, const char *filename, int line) } +#ifdef LOAD_FILES static int parse_pdb_file (molecule *m, const char *name) { @@ -884,6 +936,7 @@ parse_pdb_file (molecule *m, const char *name) return 0; } +#endif /* LOAD_FILES */ typedef struct { char *atom; int count; } atom_and_count; @@ -1001,16 +1054,17 @@ static void load_molecules (ModeInfo *mi) { molecule_configuration *mc = &mcs[MI_SCREEN(mi)]; - int wire = MI_IS_WIREFRAME(mi); int i; mc->nmolecules = 0; +# ifdef LOAD_FILES if (molecule_str && *molecule_str && strcmp(molecule_str, "(default)")) /* try external PDB files */ { /* The -molecule option can point to a .pdb file, or to a directory of them. */ + int wire = MI_IS_WIREFRAME(mi); struct stat st; int nfiles = 0; int list_size = 0; @@ -1114,6 +1168,7 @@ load_molecules (ModeInfo *mi) files = 0; mc->nmolecules = molecule_ctr; } +# endif /* LOAD_FILES */ if (mc->nmolecules == 0) /* do the builtins if no files */ { @@ -1179,7 +1234,12 @@ startup_blurb (ModeInfo *mi) { molecule_configuration *mc = &mcs[MI_SCREEN(mi)]; const char *s = "Constructing molecules..."; - print_gl_string (mi->dpy, mc->xfont2, mc->font2_dlist, + print_gl_string (mi->dpy, +# ifdef HAVE_GLBITMAP + mc->xfont3, mc->font3_dlist, +# else + mc->font3_data, +# endif mi->xgwa.width, mi->xgwa.height, 10, mi->xgwa.height - 10, s, False); @@ -1337,7 +1397,13 @@ draw_labels (ModeInfo *mi) molecule_configuration *mc = &mcs[MI_SCREEN(mi)]; int wire = MI_IS_WIREFRAME(mi); molecule *m = &mc->molecules[mc->which]; - int i, j; +# ifdef HAVE_GLBITMAP + XFontStruct *xfont = (mc->scale_down ? mc->xfont2 : mc->xfont1); + GLuint font_dlist = (mc->scale_down ? mc->font2_dlist : mc->font1_dlist); +# else + texture_font_data *font_data = mc->font1_data; /* don't scale down */ +# endif + int i; if (!do_labels) return; @@ -1391,18 +1457,41 @@ draw_labels (ModeInfo *mi) glTranslatef (0, 0, (size * 1.1)); /* move toward camera */ + glRotatef (current_device_rotation(), 0, 0, 1); /* right side up */ + +# ifdef HAVE_GLBITMAP glRasterPos3f (0, 0, 0); /* draw text here */ /* Before drawing the string, shift the origin to center the text over the origin of the sphere. */ glBitmap (0, 0, 0, 0, - -string_width (mc->xfont1, a->label, 0) / 2, - -mc->xfont1->descent, + -string_width (xfont, a->label, 0) / 2, + -xfont->descent, NULL); - - for (j = 0; j < strlen(a->label); j++) - - glCallList (mc->font1_dlist + (int)(a->label[j])); + { + int j; + for (j = 0; j < strlen(a->label); j++) + glCallList (font_dlist + (int)(a->label[j])); + } +# else + { + int h; + int w = texture_string_width (font_data, a->label, &h); + GLfloat s = 1.0 / h; + GLfloat max = 18; /* max point size to avoid pixellated text */ + if (h > max) s *= max/h; + glScalef (s, s, 1); + glTranslatef (-w/2, h*2/3, 0); + print_gl_string (mi->dpy, +# ifdef HAVE_GLBITMAP + xfont, font_dlist, +# else + font_data, +# endif + 0, 0, 0, 0, + a->label, False); + } +# endif glPopMatrix(); } @@ -1565,7 +1654,10 @@ draw_molecule (ModeInfo *mi) (y - 0.5) * 9, (z - 0.5) * 9); + /* Do it twice because we don't track the device's orientation. */ + glRotatef( current_device_rotation(), 0, 0, 1); gltrackball_rotate (mc->trackball); + glRotatef(-current_device_rotation(), 0, 0, 1); get_rotation (mc->rot, &x, &y, &z, !mc->button_down_p); glRotatef (x * 360, 1.0, 0.0, 0.0); @@ -1597,7 +1689,12 @@ draw_molecule (ModeInfo *mi) if (do_titles && m->label && *m->label) { set_atom_color (mi, 0, True, 1); - print_gl_string (mi->dpy, mc->xfont2, mc->font2_dlist, + print_gl_string (mi->dpy, +# ifdef HAVE_GLBITMAP + mc->xfont3, mc->font3_dlist, +# else + mc->font3_data, +# endif mi->xgwa.width, mi->xgwa.height, 10, mi->xgwa.height - 10, m->label, False);