http://packetstormsecurity.org/UNIX/admin/xscreensaver-4.03.tar.gz

[xscreensaver] / hacks / glx / molecule.c

diff --git a/hacks/glx/molecule.c b/hacks/glx/molecule.c
index cb2932eb7168c232dec3fe8cc102371f3c069191..c6c59b868ed0e9e8de26793e7a4e72fb2db6ea7d 100644 (file)
--- a/hacks/glx/molecule.c
+++ b/hacks/glx/molecule.c
@@ -112,6 +112,7 @@
 
 #ifdef USE_GL /* whole file */
 
+#include <stdlib.h>
 #include <ctype.h>
 #include <GL/glu.h>
 
@@ -589,10 +590,12 @@ ensure_bounding_box_visible (ModeInfo *mi)
 
 static void
 print_title_string (ModeInfo *mi, const char *string,
-                    GLfloat x, GLfloat y, GLfloat line_height)
+                    GLfloat x, GLfloat y, XFontStruct *font)
 {
   molecule_configuration *mc = &mcs[MI_SCREEN(mi)];
-  
+  GLfloat line_height = font->ascent + font->descent;
+  GLfloat sub_shift = (line_height * 0.3);
+
   y -= line_height;
 
   glPushAttrib (GL_TRANSFORM_BIT |  /* for matrix contents */
@@ -609,6 +612,8 @@ print_title_string (ModeInfo *mi, const char *string,
       glPushMatrix();
       {
         int i;
+        int x2 = x;
+        Bool sub_p = False;
         glLoadIdentity();
 
         gluOrtho2D (0, mi->xgwa.width, 0, mi->xgwa.height);
@@ -620,9 +625,27 @@ print_title_string (ModeInfo *mi, const char *string,
           {
             char c = string[i];
             if (c == '\n')
-              glRasterPos2f (x, (y -= line_height));
+              {
+                glRasterPos2f (x, (y -= line_height));
+                x2 = x;
+              }
+            else if (c == '(' && (isdigit (string[i+1])))
+              {
+                sub_p = True;
+                glRasterPos2f (x2, (y -= sub_shift));
+              }
+            else if (c == ')' && sub_p)
+              {
+                sub_p = False;
+                glRasterPos2f (x2, (y += sub_shift));
+              }
             else
-              glCallList (mc->font2_dlist + (int)(c));
+              {
+                glCallList (mc->font2_dlist + (int)(c));
+                x2 += (font->per_char
+                       ? font->per_char[c - font->min_char_or_byte2].width
+                       : font->min_bounds.width);
+              }
           }
       }
       glPopMatrix();
@@ -777,7 +800,7 @@ build_molecule (ModeInfo *mi)
   if (do_titles && m->label && *m->label)
     print_title_string (mi, m->label,
                         10, mi->xgwa.height - 10,
-                        mc->xfont2->ascent + mc->xfont2->descent);
+                        mc->xfont2);
 }
 
 
@@ -1034,13 +1057,36 @@ parse_pdb_file (molecule *m, const char *name)
 }
 
 
+typedef struct { char *atom; int count; } atom_and_count;
+
+/* When listing the components of a molecule, the convention is to put the
+   carbon atoms first, the hydrogen atoms second, and the other atom types
+   sorted alphabetically after that (although for some molecules, the usual
+   order is different: we special-case a few of those.)
+ */
+static int
+cmp_atoms (const void *aa, const void *bb)
+{
+  const atom_and_count *a = (atom_and_count *) aa;
+  const atom_and_count *b = (atom_and_count *) bb;
+  if (!a->atom) return  1;
+  if (!b->atom) return -1;
+  if (!strcmp(a->atom, "C")) return -1;
+  if (!strcmp(b->atom, "C")) return  1;
+  if (!strcmp(a->atom, "H")) return -1;
+  if (!strcmp(b->atom, "H")) return  1;
+  return strcmp (a->atom, b->atom);
+}
+
+static void special_case_formula (char *f);
+
 static void
 generate_molecule_formula (molecule *m)
 {
   char *buf = (char *) malloc (m->natoms * 10);
   char *s = buf;
   int i;
-  struct { char *atom; int count; } counts[200];
+  atom_and_count counts[200];
   memset (counts, 0, sizeof(counts));
   *s = 0;
   for (i = 0; i < m->natoms; i++)
@@ -1061,6 +1107,10 @@ generate_molecule_formula (molecule *m)
       counts[j].count++;
     }
 
+  i = 0;
+  while (counts[i].atom) i++;
+  qsort (counts, i, sizeof(*counts), cmp_atoms);
+
   i = 0;
   while (counts[i].atom)
     {
@@ -1073,6 +1123,8 @@ generate_molecule_formula (molecule *m)
       i++;
     }
 
+  special_case_formula (buf);
+
   if (!m->label) m->label = strdup("");
   s = (char *) malloc (strlen (m->label) + strlen (buf) + 2);
   strcpy (s, m->label);
@@ -1083,6 +1135,21 @@ generate_molecule_formula (molecule *m)
   m->label = s;
 }
 
+/* thanks to Rene Uittenbogaard <ruittenb@wish.nl> */
+static void
+special_case_formula (char *f)
+{
+  if      (!strcmp(f, "H(2)Be"))   strcpy(f, "BeH(2)");
+  else if (!strcmp(f, "H(3)B"))    strcpy(f, "BH(3)");
+  else if (!strcmp(f, "H(3)N"))    strcpy(f, "NH(3)");
+  else if (!strcmp(f, "CHN"))      strcpy(f, "HCN");
+  else if (!strcmp(f, "CKN"))      strcpy(f, "KCN");
+  else if (!strcmp(f, "H(4)N(2)")) strcpy(f, "N(2)H(4)");
+  else if (!strcmp(f, "Cl(3)P"))   strcpy(f, "PCl(3)");
+  else if (!strcmp(f, "Cl(5)P"))   strcpy(f, "PCl(5)");
+}
+
+
 static void
 insert_vertical_whitespace (char *string)
 {
@@ -1174,8 +1241,14 @@ reshape_molecule (ModeInfo *mi, int width, int height)
 static void
 gl_init (ModeInfo *mi)
 {
-  static GLfloat pos[4] = {5.0, 5.0, 10.0, 1.0};
+  static GLfloat pos[4] = {1.0, 0.4, 0.9, 0.0};
+  static GLfloat amb[4] = {0.0, 0.0, 0.0, 1.0};
+  static GLfloat dif[4] = {0.8, 0.8, 0.8, 1.0};
+  static GLfloat spc[4] = {1.0, 1.0, 1.0, 1.0};
   glLightfv(GL_LIGHT0, GL_POSITION, pos);
+  glLightfv(GL_LIGHT0, GL_AMBIENT,  amb);
+  glLightfv(GL_LIGHT0, GL_DIFFUSE,  dif);
+  glLightfv(GL_LIGHT0, GL_SPECULAR, spc);
 
   orig_do_labels = do_labels;
   orig_do_bonds = do_bonds;
@@ -1262,7 +1335,7 @@ startup_blurb (ModeInfo *mi)
   print_title_string (mi, s,
                       mi->xgwa.width - (string_width (mc->xfont2, s) + 40),
                       10 + mc->xfont2->ascent + mc->xfont2->descent,
-                      mc->xfont2->ascent + mc->xfont2->descent);
+                      mc->xfont2);
   glFinish();
   glXSwapBuffers(MI_DISPLAY(mi), MI_WINDOW(mi));
 }