From 95d6c999c3681325f97462a825763359e32007d8 Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Mon, 16 Mar 2026 19:45:00 +0100
Subject: [PATCH 01/10] Move globals to structure

---
 src/v.c          | 107 +++++++++++++++-------------------
 src/v/ac3_draw.c |  49 +++++++++-------
 src/v/load.c     |  14 +++++
 src/v/loop.c     |  18 +++---
 src/v/tools.c    |  13 -----
 src/v/v.h        |   2 +-
 src/v/x.c        | 147 +++++++++++++++++++++++------------------------
 src/v/x.h        |  22 +++----
 src/v/xinput.c   |   4 +-
 9 files changed, 179 insertions(+), 197 deletions(-)

diff --git a/src/v.c b/src/v.c
index a56c657..455c697 100644
--- a/src/v.c
+++ b/src/v.c
@@ -2,61 +2,54 @@
 #include "x.h"
 #include "evr.h"
 
-Display * dis;
-int       screen;
-Window    win;
-GC        gc_white, gc_black, gc_red, gc_dot[2], gcc[NCOLORS];
-Pixmap    px;
-Drawable  canv;
-XFontStruct * fontInfo;
-int       W,H;
-int (*myDrawString)();
-
+draw_world_t world;
 
 static void init_keys(ptf kp[NKP]){
   memset(kp, 0, sizeof(ptf)*NKP);
-  kp[ XKeysymToKeycode(dis, XK_Escape    ) ] = kp_exit      ;
-  kp[ XKeysymToKeycode(dis, XK_period    ) ] = kp_pg        ;
-  kp[ XKeysymToKeycode(dis, XK_1         ) ] = kp_rl_dec    ;
-  kp[ XKeysymToKeycode(dis, XK_2         ) ] = kp_rl_inc    ;
-  kp[ XKeysymToKeycode(dis, XK_3         ) ] = kp_r_dec     ;
-  kp[ XKeysymToKeycode(dis, XK_4         ) ] = kp_r_inc     ;
-  kp[ XKeysymToKeycode(dis, XK_0         ) ] = kp_goto_1st  ;
-  kp[ XKeysymToKeycode(dis, XK_equal     ) ] = kp_goto_last ;
-  kp[ XKeysymToKeycode(dis, XK_BackSpace ) ] = kp_frame_dec ;
-  kp[ XKeysymToKeycode(dis, XK_Tab       ) ] = kp_readmore  ;
-  kp[ XKeysymToKeycode(dis, XK_q         ) ] = kp_exit      ;
-  kp[ XKeysymToKeycode(dis, XK_w         ) ] = kp_move_u    ;
-  kp[ XKeysymToKeycode(dis, XK_r         ) ] = kp_readagain ;
-  kp[ XKeysymToKeycode(dis, XK_t         ) ] = kp_t_toggle  ;
-  kp[ XKeysymToKeycode(dis, XK_u         ) ] = kp_printrot  ;
-  kp[ XKeysymToKeycode(dis, XK_p         ) ] = kp_print2fig ;
-  kp[ XKeysymToKeycode(dis, XK_Return    ) ] = kp_frame_inc ;
-  kp[ XKeysymToKeycode(dis, XK_a         ) ] = kp_move_l    ;
-  kp[ XKeysymToKeycode(dis, XK_s         ) ] = kp_move_d    ;
-  kp[ XKeysymToKeycode(dis, XK_d         ) ] = kp_move_r    ;
-  kp[ XKeysymToKeycode(dis, XK_f         ) ] = kp_film      ;
-  kp[ XKeysymToKeycode(dis, XK_j         ) ] = kp_jump      ;
-  kp[ XKeysymToKeycode(dis, XK_l         ) ] = kp_l_toggle  ;
-  kp[ XKeysymToKeycode(dis, XK_z         ) ] = kp_print_xyz ;
-  kp[ XKeysymToKeycode(dis, XK_x         ) ] = kp_print     ;
-  kp[ XKeysymToKeycode(dis, XK_b         ) ] = kp_b_toggle  ;
-  kp[ XKeysymToKeycode(dis, XK_n         ) ] = kp_n_toggle  ;
-  kp[ XKeysymToKeycode(dis, XK_m         ) ] = kp_savepic   ;
-  kp[ XKeysymToKeycode(dis, XK_End       ) ] = kp_zoom_out  ;
-  kp[ XKeysymToKeycode(dis, XK_Up        ) ] = kp_rotx_r    ;
-  kp[ XKeysymToKeycode(dis, XK_Page_Up   ) ] = kp_rotz_l    ;
-  kp[ XKeysymToKeycode(dis, XK_Left      ) ] = kp_roty_l    ;
-  kp[ XKeysymToKeycode(dis, XK_Right     ) ] = kp_roty_r    ;
-  kp[ XKeysymToKeycode(dis, XK_Home      ) ] = kp_zoom_in   ;
-  kp[ XKeysymToKeycode(dis, XK_Down      ) ] = kp_rotx_l    ;
-  kp[ XKeysymToKeycode(dis, XK_Page_Down ) ] = kp_rotz_r    ;
-  kp[ XKeysymToKeycode(dis, XK_Insert    ) ] = kp_fw_toggle ;
-  kp[ XKeysymToKeycode(dis, XK_Delete    ) ] = kp_bw_toggle ;
-  kp[ XKeysymToKeycode(dis, XK_KP_Up     ) ] = kp_move_u    ;
-  kp[ XKeysymToKeycode(dis, XK_KP_Left   ) ] = kp_move_l    ;
-  kp[ XKeysymToKeycode(dis, XK_KP_Right  ) ] = kp_move_r    ;
-  kp[ XKeysymToKeycode(dis, XK_KP_Down   ) ] = kp_move_d    ;
+#define ASSIGN_KEY(KEY, ACTION)  { kp[XKeysymToKeycode(world.dis, (KEY))] = (ACTION); }
+  ASSIGN_KEY( XK_Escape     ,  kp_exit      );
+  ASSIGN_KEY( XK_period     ,  kp_pg        );
+  ASSIGN_KEY( XK_1          ,  kp_rl_dec    );
+  ASSIGN_KEY( XK_2          ,  kp_rl_inc    );
+  ASSIGN_KEY( XK_3          ,  kp_r_dec     );
+  ASSIGN_KEY( XK_4          ,  kp_r_inc     );
+  ASSIGN_KEY( XK_0          ,  kp_goto_1st  );
+  ASSIGN_KEY( XK_equal      ,  kp_goto_last );
+  ASSIGN_KEY( XK_BackSpace  ,  kp_frame_dec );
+  ASSIGN_KEY( XK_Tab        ,  kp_readmore  );
+  ASSIGN_KEY( XK_q          ,  kp_exit      );
+  ASSIGN_KEY( XK_w          ,  kp_move_u    );
+  ASSIGN_KEY( XK_r          ,  kp_readagain );
+  ASSIGN_KEY( XK_t          ,  kp_t_toggle  );
+  ASSIGN_KEY( XK_u          ,  kp_printrot  );
+  ASSIGN_KEY( XK_p          ,  kp_print2fig );
+  ASSIGN_KEY( XK_Return     ,  kp_frame_inc );
+  ASSIGN_KEY( XK_a          ,  kp_move_l    );
+  ASSIGN_KEY( XK_s          ,  kp_move_d    );
+  ASSIGN_KEY( XK_d          ,  kp_move_r    );
+  ASSIGN_KEY( XK_f          ,  kp_film      );
+  ASSIGN_KEY( XK_j          ,  kp_jump      );
+  ASSIGN_KEY( XK_l          ,  kp_l_toggle  );
+  ASSIGN_KEY( XK_z          ,  kp_print_xyz );
+  ASSIGN_KEY( XK_x          ,  kp_print     );
+  ASSIGN_KEY( XK_b          ,  kp_b_toggle  );
+  ASSIGN_KEY( XK_n          ,  kp_n_toggle  );
+  ASSIGN_KEY( XK_m          ,  kp_savepic   );
+  ASSIGN_KEY( XK_End        ,  kp_zoom_out  );
+  ASSIGN_KEY( XK_Up         ,  kp_rotx_r    );
+  ASSIGN_KEY( XK_Page_Up    ,  kp_rotz_l    );
+  ASSIGN_KEY( XK_Left       ,  kp_roty_l    );
+  ASSIGN_KEY( XK_Right      ,  kp_roty_r    );
+  ASSIGN_KEY( XK_Home       ,  kp_zoom_in   );
+  ASSIGN_KEY( XK_Down       ,  kp_rotx_l    );
+  ASSIGN_KEY( XK_Page_Down  ,  kp_rotz_r    );
+  ASSIGN_KEY( XK_Insert     ,  kp_fw_toggle );
+  ASSIGN_KEY( XK_Delete     ,  kp_bw_toggle );
+  ASSIGN_KEY( XK_KP_Up      ,  kp_move_u    );
+  ASSIGN_KEY( XK_KP_Left    ,  kp_move_l    );
+  ASSIGN_KEY( XK_KP_Right   ,  kp_move_r    );
+  ASSIGN_KEY( XK_KP_Down    ,  kp_move_d    );
+#undef ASSIGN_KEY
   return;
 }
 
@@ -104,16 +97,6 @@ int main (int argc, char * argv[]) {
   init_x(dp->read.fname, ap.ip.colors);
   init_keys(kp);
   init_font(ap.ip.fontname);
-#if 0
-  myDrawString = &XDrawString;
-#else
-  myDrawString = &XDrawImageString;
-#endif
-#if 0
-  canv = win;
-#else
-  canv = px;
-#endif
 
   /*= Main loop ==============================================================*/
   main_loop(ent, dp, kp);
diff --git a/src/v/ac3_draw.c b/src/v/ac3_draw.c
index 657dcbe..8afbffd 100644
--- a/src/v/ac3_draw.c
+++ b/src/v/ac3_draw.c
@@ -2,17 +2,24 @@
 #include "x.h"
 
 #define EPS 1e-15
-#define BOND_OFFSET 0.666          // bond line starts this fraction of the atom radius away from the atom center
-#define RESOL_SCALE (128.0/768.0)  // reference resolution for atom sizes
-
-extern int W,H;
-extern int       screen;
-extern Display * dis;
-extern GC        gc_white, gc_black, gc_dot[2], gcc[NCOLORS];
-extern Window    win;
-extern Pixmap    px;
-extern Drawable  canv;
-extern int (*myDrawString)();
+#define BOND_OFFSET 0.666             // bond line starts this fraction of the atom radius away from the atom center
+#define RESOL_SCALE (128.0/768.0)     // reference resolution for atom sizes
+#define XDRAWSTRING XDrawImageString  // change to XDrawString to remove white boxes behind atom/bond labels
+
+#define CLEARCANV \
+  if(world.canv == world.px){\
+    XFillRectangle(world.dis, world.px, world.gc_white, 0, 0, world.W, world.H);\
+  }\
+  else if(world.canv == world.win){\
+    XClearWindow(world.dis, world.win);\
+  }
+
+#define FILLCANV \
+  if(world.canv == world.px){\
+    XCopyArea(world.dis, world.px, world.win, world.gc_white, 0, 0, world.W, world.H, 0, 0);\
+  }
+
+extern draw_world_t world;
 
 static inline int getgci(int q){
   return abs(q)<NCOLORS ? abs(q) : 0;
@@ -36,8 +43,8 @@ static int cmpz(const void * p1, const void * p2){
 
 void ac3_draw(atcoord * ac, rendpars rend){
 
-#define SCREEN_X(X)  (W/2 + d*(rend.xy0[0] + (X)))
-#define SCREEN_Y(Y)  (H/2 - d*(rend.xy0[1] + (Y)))
+#define SCREEN_X(X)  (world.W/2 + d*(rend.xy0[0] + (X)))
+#define SCREEN_Y(Y)  (world.H/2 - d*(rend.xy0[1] + (Y)))
 
   CLEARCANV;
 
@@ -45,8 +52,8 @@ void ac3_draw(atcoord * ac, rendpars rend){
   kzstr * kz = malloc(sizeof(kzstr)*n);
   int   * ks = (rend.bonds>0) ? malloc(sizeof(int)*n) : NULL;
 
-  double d     = MIN(H,W) * rend.scale;
-  double resol = MIN(H,W) * RESOL_SCALE;
+  double d     = MIN(world.H,world.W) * rend.scale;
+  double resol = MIN(world.H,world.W) * RESOL_SCALE;
   double r1  = rend.r * resol * rend.scale;
 
   for(int k=0; k<n; k++){
@@ -69,21 +76,21 @@ void ac3_draw(atcoord * ac, rendpars rend){
     double rt = r1 * getradius(ac->q[k]);
     int r = MAX(1, rt);
 
-    XFillArc (dis, canv, gcc[getgci(q)], x-r, y-r, 2*r, 2*r, 0, 360*64);
+    XFillArc (world.dis, world.canv, world.gcc[getgci(q)], x-r, y-r, 2*r, 2*r, 0, 360*64);
     if(r>1){
-      XDrawArc(dis, canv, q>0?gc_black:gc_dot[1], x-r, y-r, 2*r, 2*r, 0, 360*64);
+      XDrawArc(world.dis, world.canv, q>0?world.gc_black:world.gc_dot[1], x-r, y-r, 2*r, 2*r, 0, 360*64);
     }
 
     if(rend.num == 1){
       char text[16];
       snprintf(text, sizeof(text), "%d", k+1);
-      myDrawString(dis, canv, gc_black, x, y, text, strlen(text));
+      XDRAWSTRING(world.dis, world.canv, world.gc_black, x, y, text, strlen(text));
     }
     else if(rend.num == -1){
       char text[16];
       const char * s = getname(q);
       s ? snprintf(text, sizeof(text), "%s", s) :  snprintf(text, sizeof(text), "%d", q );
-      myDrawString(dis, canv, gc_black, x, y, text, strlen(text));
+      XDRAWSTRING(world.dis, world.canv, world.gc_black, x, y, text, strlen(text));
     }
 
     if(rend.bonds>0){
@@ -104,11 +111,11 @@ void ac3_draw(atcoord * ac, rendpars rend){
           continue;
         }
         double dd = BOND_OFFSET * r / sqrt(r2d);
-        XDrawLine(dis, canv, gc_black, x+dd*dx, y+dd*dy, x1, y1);
+        XDrawLine(world.dis, world.canv, world.gc_black, x+dd*dx, y+dd*dy, x1, y1);
         if(rend.bonds==2){
           char text[16];
           snprintf(text, sizeof(text), "%.3lf", ac->bonds.r[j]);
-          myDrawString(dis, canv, gc_black, x+dx/2, y+dy/2, text, strlen(text));
+          XDRAWSTRING(world.dis, world.canv, world.gc_black, x+dx/2, y+dy/2, text, strlen(text));
         }
       }
     }
diff --git a/src/v/load.c b/src/v/load.c
index 2246d2c..e04d96f 100644
--- a/src/v/load.c
+++ b/src/v/load.c
@@ -13,6 +13,20 @@ static inline void fill_nf(object * acs, int n0){
   return;
 }
 
+void newmol_prep(object * acs, drawpars * dp){
+  for(int j=dp->N; j<acs->n; j++){
+    atcoord * ac = acs->m[j];
+    for(int i=0; i<ac->n; i++){
+      double v[3];
+      r3mx(v, ac->r+3*i, dp->rend.ac3rmx);
+      r3cp(ac->r+3*i, v);
+    }
+  }
+  dp->N = acs->n;
+  return;
+}
+
+
 void acs_readmore(readpars read, int b, geompars geom, object * acs){
 
   // needed to reset nf
diff --git a/src/v/loop.c b/src/v/loop.c
index 1dd4971..2efd4f7 100644
--- a/src/v/loop.c
+++ b/src/v/loop.c
@@ -4,9 +4,7 @@
 
 #define VIBRO_SUBSTEPS 4
 
-extern int W,H;
-extern Display * dis;
-extern Window    win;
+extern draw_world_t world;
 
 typedef struct {
   int click;
@@ -18,7 +16,7 @@ static void process_mouse(XMotionEvent * event, object * ent, drawpars * dp, mou
   if(mouse->click){
     int x = event->x;
     int y = event->y;
-    rot_ent_pointer(ent, dp, x-mouse->x0, y-mouse->y0, POINTER_SPEED/MIN(W,H));
+    rot_ent_pointer(ent, dp, x-mouse->x0, y-mouse->y0, POINTER_SPEED/MIN(world.W,world.H));
     exp_redraw(ent, dp);
     mouse->x0 = x;
     mouse->y0 = y;
@@ -71,8 +69,8 @@ static void run_animation(object * ent, drawpars * dp, int * tr){
 void main_loop(object * ent, drawpars * dp, ptf kp[NKP]){
 
   // To handle window closing. Thanks to https://stackoverflow.com/a/1186544
-  Atom wm_delete_window = XInternAtom(dis, "WM_DELETE_WINDOW", False);
-  XSetWMProtocols(dis, win, &wm_delete_window, 1);
+  Atom wm_delete_window = XInternAtom(world.dis, "WM_DELETE_WINDOW", False);
+  XSetWMProtocols(world.dis, world.win, &wm_delete_window, 1);
 
   mouse_state_t mouse = {.click=0, .x0=0, .y0=0};
   int tr = 0;
@@ -80,7 +78,7 @@ void main_loop(object * ent, drawpars * dp, ptf kp[NKP]){
     XEvent event_rec;
     XEvent * event = NULL;
     do{
-      XNextEvent(dis, &event_rec);
+      XNextEvent(world.dis, &event_rec);
 #if 0
       printf("%d\n", event_rec.type);
 #endif
@@ -90,7 +88,7 @@ void main_loop(object * ent, drawpars * dp, ptf kp[NKP]){
       if(event->type == ButtonPress || event->type == ButtonRelease){
         break;
       }
-    } while(XEventsQueued(dis, QueuedAlready));
+    } while(XEventsQueued(world.dis, QueuedAlready));
 
     if (event->type == ClientMessage) {
       if ((Atom)event->xclient.data.l[0] == wm_delete_window) {
@@ -103,8 +101,8 @@ void main_loop(object * ent, drawpars * dp, ptf kp[NKP]){
     }
 
     else if(event->type == ConfigureNotify){
-      W = event->xconfigure.width;
-      H = event->xconfigure.height;
+      world.W = event->xconfigure.width;
+      world.H = event->xconfigure.height;
       dp->rend.xy0[0] = dp->rend.xy0[1] = 0.0;
       exp_redraw(ent, dp);
     }
diff --git a/src/v/tools.c b/src/v/tools.c
index d186adf..25a6d49 100644
--- a/src/v/tools.c
+++ b/src/v/tools.c
@@ -13,19 +13,6 @@ void obj_free(object * ent){
   return;
 }
 
-void newmol_prep(object * acs, drawpars * dp){
-  for(int j=dp->N; j<acs->n; j++){
-    atcoord * ac = acs->m[j];
-    for(int i=0; i<ac->n; i++){
-      double v[3];
-      r3mx(v, ac->r+3*i, dp->rend.ac3rmx);
-      r3cp(ac->r+3*i, v);
-    }
-  }
-  dp->N = acs->n;
-  return;
-}
-
 void ac3_text(atcoord * ac, drawpars * dp){
   char text[STRLEN];
   int tp = snprintf(text, sizeof(text),
diff --git a/src/v/v.h b/src/v/v.h
index f649ae8..e3cf204 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -54,6 +54,7 @@ typedef struct {
 
 
 // load.c
+void newmol_prep(object * acs, drawpars * dp);
 object * acs_from_var(int n, mol * m, vibr_t vib, allpars * ap);
 void acs_readmore  (readpars read, int b, geompars geom, object * acs);
 object * read_files(allpars * ap);
@@ -109,7 +110,6 @@ int process_x_input(char input_text[STRLEN], unsigned int keycode);
 
 // tools.c
 void obj_free(object * ent);
-void newmol_prep(object * acs, drawpars * dp);
 void ac3_text(atcoord * ac, drawpars * dp);
 void vibro_text(vibr_t * ms, drawpars * dp);
 void pg(atcoord * a, double symtol);
diff --git a/src/v/x.c b/src/v/x.c
index 74b436d..4401db2 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -2,31 +2,23 @@
 #include "x.h"
 #include "vec2.h"
 
-extern Display * dis;
-extern int       screen;
-extern Window    win;
-extern GC        gc_white, gc_black, gc_red, gc_dot[2], gcc[NCOLORS];
-extern Pixmap    px;
-extern Drawable  canv;
-extern XFontStruct * fontInfo;
-
-extern int W,H;
+extern draw_world_t world;
 
 void close_x(void) {
-  XFreeGC(dis, gc_red);
-  XFreeGC(dis, gc_black);
-  XFreeGC(dis, gc_white);
-  XFreeGC(dis, gc_dot[0]);
-  XFreeGC(dis, gc_dot[1]);
+  XFreeGC(world.dis, world.gc_red);
+  XFreeGC(world.dis, world.gc_black);
+  XFreeGC(world.dis, world.gc_white);
+  XFreeGC(world.dis, world.gc_dot[0]);
+  XFreeGC(world.dis, world.gc_dot[1]);
   for(int i=0; i<NCOLORS; i++){
-    XFreeGC(dis, gcc[i]);
+    XFreeGC(world.dis, world.gcc[i]);
   }
-  XDestroyWindow (dis, win);
-  XFreePixmap    (dis, px);
-  if(fontInfo){
-    XFreeFont    (dis, fontInfo);
+  XDestroyWindow (world.dis, world.win);
+  XFreePixmap    (world.dis, world.px);
+  if(world.fontInfo){
+    XFreeFont    (world.dis, world.fontInfo);
   }
-  XCloseDisplay  (dis);
+  XCloseDisplay  (world.dis);
 };
 
 static void setcolors(colorscheme_t colorscheme){
@@ -50,63 +42,68 @@ static void setcolors(colorscheme_t colorscheme){
       break;
   }
 
-  Colormap colmap = DefaultColormap(dis, DefaultScreen(dis));
+  Colormap colmap = DefaultColormap(world.dis, DefaultScreen(world.dis));
   for(int i=0; i<NCOLORS; i++){
     int j = (palette[i][0] || palette[i][1] || palette[i][2]) ? i : 0;
     XColor c = {.red = palette[j][0], .green = palette[j][1], .blue = palette[j][2]};
-    gcc[i] = XCreateGC (dis, win, 0, 0);
-    XAllocColor(dis, colmap, &c);
-    XSetForeground(dis, gcc[i], c.pixel);
+    world.gcc[i] = XCreateGC (world.dis, world.win, 0, 0);
+    XAllocColor(world.dis, colmap, &c);
+    XSetForeground(world.dis, world.gcc[i], c.pixel);
   }
   return;
 }
 
 void init_x(const char * const capt, const colorscheme_t colorscheme){
 
-  dis    = XOpenDisplay((char *)0);
-  screen = DefaultScreen(dis);
-  W = DisplayWidth  (dis, screen);
-  H = DisplayHeight (dis, screen);
+  Display * dis = world.dis = XOpenDisplay((char *)0);
+  int screen = DefaultScreen(dis);
+  world.W = DisplayWidth  (dis, screen);
+  world.H = DisplayHeight (dis, screen);
 
   unsigned long bp = BlackPixel (dis, screen);
   unsigned long wp = WhitePixel (dis, screen);
   unsigned long red_pixel = 0xff0000;
 
-  win = XCreateSimpleWindow(dis, DefaultRootWindow(dis),
-      0, 0, W, H, 0, bp, wp);
+  world.win = XCreateSimpleWindow(dis, DefaultRootWindow(dis),
+      0, 0, world.W, world.H, 0, bp, wp);
 
-  XSetStandardProperties(dis, win, capt, "icon", None, NULL, 0, NULL);
-  XSelectInput   (dis, win, ExposureMask|KeyPressMask|StructureNotifyMask   |ButtonPressMask|ButtonReleaseMask|PointerMotionMask	  );
+  XSetStandardProperties(dis, world.win, capt, "icon", None, NULL, 0, NULL);
+  XSelectInput   (dis, world.win, ExposureMask|KeyPressMask|StructureNotifyMask   |ButtonPressMask|ButtonReleaseMask|PointerMotionMask	  );
 
-  gc_white = XCreateGC (dis, win, 0, 0);
-  XSetBackground (dis, gc_white, wp);
-  XSetForeground (dis, gc_white, wp);
+  world.gc_white = XCreateGC (dis, world.win, 0, 0);
+  XSetBackground (dis, world.gc_white, wp);
+  XSetForeground (dis, world.gc_white, wp);
 
-  gc_black = XCreateGC (dis, win, 0, 0);
-  XSetBackground (dis, gc_black, wp);
-  XSetForeground (dis, gc_black, bp);
-  XSetLineAttributes(dis, gc_black, 2, 0, 0, 0);
+  world.gc_black = XCreateGC (dis, world.win, 0, 0);
+  XSetBackground (dis, world.gc_black, wp);
+  XSetForeground (dis, world.gc_black, bp);
+  XSetLineAttributes(dis, world.gc_black, 2, 0, 0, 0);
 
-  gc_red = XCreateGC (dis, win, 0, 0);
-  XSetBackground (dis, gc_red, wp);
-  XSetForeground (dis, gc_red, red_pixel);
+  world.gc_red = XCreateGC (dis, world.win, 0, 0);
+  XSetBackground (dis, world.gc_red, wp);
+  XSetForeground (dis, world.gc_red, red_pixel);
 
-  gc_dot[0] = XCreateGC (dis, win, 0, 0);
-  XSetBackground (dis, gc_black, wp);
-  XSetForeground (dis, gc_black, bp);
-  XSetLineAttributes(dis, gc_dot[0], 2, 1, 0, 0);
+  world.gc_dot[0] = XCreateGC (dis, world.win, 0, 0);
+  XSetBackground (dis, world.gc_black, wp);
+  XSetForeground (dis, world.gc_black, bp);
+  XSetLineAttributes(dis, world.gc_dot[0], 2, 1, 0, 0);
 
-  gc_dot[1] = XCreateGC (dis, win, 0, 0);
-  XSetBackground (dis, gc_black, wp);
-  XSetForeground (dis, gc_black, bp);
-  XSetLineAttributes(dis, gc_dot[1], 0, 1, 0, 0);
+  world.gc_dot[1] = XCreateGC (dis, world.win, 0, 0);
+  XSetBackground (dis, world.gc_black, wp);
+  XSetForeground (dis, world.gc_black, bp);
+  XSetLineAttributes(dis, world.gc_dot[1], 0, 1, 0, 0);
 
   setcolors(colorscheme);
 
-  XClearWindow   (dis, win);
-  XMapRaised     (dis, win);
+  XClearWindow   (dis, world.win);
+  XMapRaised     (dis, world.win);
 
-  px = XCreatePixmap(dis, win, W, H, DefaultDepth(dis, 0));
+  world.px = XCreatePixmap(dis, world.win, world.W, world.H, DefaultDepth(dis, 0));
+#if 1
+  world.canv = world.win;
+#else
+  world.canv = world.px;
+#endif
   return;
 };
 
@@ -114,7 +111,7 @@ static void autosize_font(char * fontname){
   const int screen_sizes[] = {1200, 1080, 960, 900, 840, 768};
   const int font_sizes[]   = {  24,   20,  18,  16,  15,  14}; //  font_size='ceil'(screen_size) / 60
   int font_size = 13;
-  int screen_size = MIN(W, H);
+  int screen_size = MIN(world.W, world.H);
   for(int i=0; i<sizeof(screen_sizes)/sizeof(screen_sizes[0]); i++){
     if(screen_size>screen_sizes[i]){
       font_size = font_sizes[i];
@@ -131,9 +128,9 @@ void init_font(char * fontname){
     fontname = s;
     autosize_font(fontname);
   }
-  fontInfo = XLoadQueryFont(dis, fontname);
-  if(fontInfo){
-    XSetFont (dis, gc_black, fontInfo->fid);
+  world.fontInfo = XLoadQueryFont(world.dis, fontname);
+  if(world.fontInfo){
+    XSetFont (world.dis, world.gc_black, world.fontInfo->fid);
   }
   else{
     PRINT_WARN("cannot load font '%s'\n", fontname);
@@ -142,22 +139,22 @@ void init_font(char * fontname){
 }
 
 void textincorner(const char * const text1, const char * const text2){
-  int voffset = fontInfo ? (fontInfo->ascent + fontInfo->descent + 5) : 20;
-  XDrawString(dis, win, gc_black, 10, voffset, text1, strlen(text1));
+  int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
+  XDrawString(world.dis, world.win, world.gc_black, 10, voffset, text1, strlen(text1));
   if(text2){
-    XDrawString(dis, win, gc_black, 10, voffset*2, text2, strlen(text2));
+    XDrawString(world.dis, world.win, world.gc_black, 10, voffset*2, text2, strlen(text2));
   }
   return;
 }
 
 void textincorner2(const char * const text1){
-  int voffset = fontInfo ? (fontInfo->ascent + fontInfo->descent + 5) : 20;
-  XDrawString(dis, win, gc_red, 10, voffset*3, text1, strlen(text1));
+  int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
+  XDrawString(world.dis, world.win, world.gc_red, 10, voffset*3, text1, strlen(text1));
   return;
 }
 
 void setcaption(const char * const capt){
-  XStoreName(dis, win, capt);
+  XStoreName(world.dis, world.win, capt);
   return;
 }
 
@@ -166,14 +163,14 @@ void draw_edge(double vi[3], double vj[3], double scale, double xy0[2]){
   double pi[2], pj[2];
   r2sum(pi, xy0, vi);
   r2sum(pj, xy0, vj);
-  XDrawLine(dis, win, gc_dot[iw],
-      W/2+scale*pi[0], H/2-scale*pi[1],
-      W/2+scale*pj[0], H/2-scale*pj[1]);
+  XDrawLine(world.dis, world.win, world.gc_dot[iw],
+      world.W/2+scale*pi[0], world.H/2-scale*pi[1],
+      world.W/2+scale*pj[0], world.H/2-scale*pj[1]);
   return;
 }
 
 void drawvertices(double * v, double scale, double xy0[2]){
-  double d = MIN(H, W)*scale;
+  double d = MIN(world.H, world.W)*scale;
 #define LINE(i,j) draw_edge(v+(i)*3, v+(j)*3, d, xy0)
   for(int i=0; i<8; i+=2){
     LINE(i,i+1); // || z-axis
@@ -189,12 +186,12 @@ void drawvertices(double * v, double scale, double xy0[2]){
 }
 
 void drawshell(double rmin, double rmax, double scale, double xy0[2]){
-  double d = MIN(H,W)*scale;
+  double d = MIN(world.H,world.W)*scale;
   double r[] = {rmax*d, rmin*d};
-  int x = W/2+d*xy0[0];
-  int y = H/2-d*xy0[1];
+  int x = world.W/2+d*xy0[0];
+  int y = world.H/2-d*xy0[1];
   for(int i=0; i<2; i++){
-    XDrawArc(dis, win, gc_dot[i], x-r[i], y-r[i], 2*r[i], 2*r[i], 0, 360*64);
+    XDrawArc(world.dis, world.win, world.gc_dot[i], x-r[i], y-r[i], 2*r[i], 2*r[i], 0, 360*64);
   }
   return;
 }
@@ -202,9 +199,9 @@ void drawshell(double rmin, double rmax, double scale, double xy0[2]){
 int savepic(char * s){
   XpmAttributes a;
   a.valuemask = (0 | XpmSize) ;
-  a.width     = W;
-  a.height    = H;
-  XCopyArea (dis, win, px, gc_white, 0, 0, W, H, 0, 0);   /* with text */
-  return XpmWriteFileFromPixmap(dis, s, px, 0, &a);
+  a.width     = world.W;
+  a.height    = world.H;
+  XCopyArea (world.dis, world.win, world.px, world.gc_white, 0, 0, world.W, world.H, 0, 0);   /* with text */
+  return XpmWriteFileFromPixmap(world.dis, s, world.px, 0, &a);
 }
 
diff --git a/src/v/x.h b/src/v/x.h
index a9d5fa5..9e51422 100644
--- a/src/v/x.h
+++ b/src/v/x.h
@@ -6,16 +6,12 @@
 
 #define NCOLORS 110
 
-#define CLEARCANV \
-  if(canv == px){\
-    XFillRectangle(dis, px, gc_white, 0, 0, W, H);\
-  }\
-  else if(canv == win){\
-    XClearWindow(dis, win);\
-  }
-
-#define FILLCANV \
-  if(canv == px){\
-    XCopyArea(dis, px, win, gc_white, 0, 0, W, H, 0, 0);\
-  }
-
+typedef struct {
+  Display * dis;
+  Window    win;
+  GC        gc_white, gc_black, gc_red, gc_dot[2], gcc[NCOLORS];
+  Pixmap    px;
+  Drawable  canv;
+  XFontStruct * fontInfo;
+  int       W,H;
+} draw_world_t;
diff --git a/src/v/xinput.c b/src/v/xinput.c
index 0e0aab6..4ac1994 100644
--- a/src/v/xinput.c
+++ b/src/v/xinput.c
@@ -1,11 +1,11 @@
 #include "v.h"
 #include "x.h"
 
-extern Display * dis;
+extern draw_world_t world;
 
 int process_x_input(char input_text[STRLEN], unsigned int keycode){
   int keysyms_per_keycode_return;
-  KeySym * keysym = XGetKeyboardMapping(dis, keycode, 1, &keysyms_per_keycode_return);
+  KeySym * keysym = XGetKeyboardMapping(world.dis, keycode, 1, &keysyms_per_keycode_return);
   int input_length = strlen(input_text);
   if(!((keysym[0]>='0' && keysym[0]<='9')||(keysym[0]>='a' && keysym[0]<='z'))){
     if(keysym[0]==XK_Escape){

From 80cae88ff1a17cbda971f5ddafa57e815ca2a4af Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Mon, 16 Mar 2026 19:53:07 +0100
Subject: [PATCH 02/10] Stop text from blinking when playing animation

---
 src/v/ac3_draw.c | 17 -----------------
 src/v/evr.c      |  5 ++++-
 src/v/v.h        |  2 ++
 src/v/x.c        | 28 ++++++++++++++++++----------
 4 files changed, 24 insertions(+), 28 deletions(-)

diff --git a/src/v/ac3_draw.c b/src/v/ac3_draw.c
index 8afbffd..da6f1bc 100644
--- a/src/v/ac3_draw.c
+++ b/src/v/ac3_draw.c
@@ -6,19 +6,6 @@
 #define RESOL_SCALE (128.0/768.0)     // reference resolution for atom sizes
 #define XDRAWSTRING XDrawImageString  // change to XDrawString to remove white boxes behind atom/bond labels
 
-#define CLEARCANV \
-  if(world.canv == world.px){\
-    XFillRectangle(world.dis, world.px, world.gc_white, 0, 0, world.W, world.H);\
-  }\
-  else if(world.canv == world.win){\
-    XClearWindow(world.dis, world.win);\
-  }
-
-#define FILLCANV \
-  if(world.canv == world.px){\
-    XCopyArea(world.dis, world.px, world.win, world.gc_white, 0, 0, world.W, world.H, 0, 0);\
-  }
-
 extern draw_world_t world;
 
 static inline int getgci(int q){
@@ -46,8 +33,6 @@ void ac3_draw(atcoord * ac, rendpars rend){
 #define SCREEN_X(X)  (world.W/2 + d*(rend.xy0[0] + (X)))
 #define SCREEN_Y(Y)  (world.H/2 - d*(rend.xy0[1] + (Y)))
 
-  CLEARCANV;
-
   int n = ac->n;
   kzstr * kz = malloc(sizeof(kzstr)*n);
   int   * ks = (rend.bonds>0) ? malloc(sizeof(int)*n) : NULL;
@@ -119,11 +104,9 @@ void ac3_draw(atcoord * ac, rendpars rend){
         }
       }
     }
-
   }
   free(kz);
   free(ks);
-  FILLCANV;
   return;
 }
 
diff --git a/src/v/evr.c b/src/v/evr.c
index 04d15ce..0523f1a 100644
--- a/src/v/evr.c
+++ b/src/v/evr.c
@@ -20,6 +20,7 @@ static void redraw_ac3(object * ent, drawpars * dp){
     bonds_fill(dp->bond, ac);
   }
 
+  clear_canv();
   ac3_draw(ac, dp->rend);
   ac3_text(ac, dp);
 
@@ -33,6 +34,7 @@ static void redraw_ac3(object * ent, drawpars * dp){
   else if(dp->cell.vert == 2){
     drawshell(dp->cell.vertices[0], dp->cell.vertices[1], dp->rend.scale, dp->rend.xy0);
   }
+  fill_canv();
 
   return;
 }
@@ -54,9 +56,10 @@ static void redraw_vibro(object * ent, drawpars * dp){
     r3cp(m->r+3*j, v);
   }
 
+  clear_canv();
   ac3_draw(m, dp->rend);
   vibro_text(ent->vib, dp);
-
+  fill_canv();
   return;
 }
 
diff --git a/src/v/v.h b/src/v/v.h
index e3cf204..c878382 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -105,6 +105,8 @@ void setcaption   (const char * const capt);
 void drawvertices (double * v, double scale, double xy0[2]);
 void drawshell    (double rmin, double rmax, double scale, double * xy0);
 int  savepic      (char * s);
+void clear_canv();
+void fill_canv();
 // xinput.c
 int process_x_input(char input_text[STRLEN], unsigned int keycode);
 
diff --git a/src/v/x.c b/src/v/x.c
index 4401db2..422a9af 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -99,11 +99,7 @@ void init_x(const char * const capt, const colorscheme_t colorscheme){
   XMapRaised     (dis, world.win);
 
   world.px = XCreatePixmap(dis, world.win, world.W, world.H, DefaultDepth(dis, 0));
-#if 1
-  world.canv = world.win;
-#else
   world.canv = world.px;
-#endif
   return;
 };
 
@@ -140,16 +136,16 @@ void init_font(char * fontname){
 
 void textincorner(const char * const text1, const char * const text2){
   int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
-  XDrawString(world.dis, world.win, world.gc_black, 10, voffset, text1, strlen(text1));
+  XDrawString(world.dis, world.canv, world.gc_black, 10, voffset, text1, strlen(text1));
   if(text2){
-    XDrawString(world.dis, world.win, world.gc_black, 10, voffset*2, text2, strlen(text2));
+    XDrawString(world.dis, world.canv, world.gc_black, 10, voffset*2, text2, strlen(text2));
   }
   return;
 }
 
 void textincorner2(const char * const text1){
   int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
-  XDrawString(world.dis, world.win, world.gc_red, 10, voffset*3, text1, strlen(text1));
+  XDrawString(world.dis, world.canv, world.gc_red, 10, voffset*3, text1, strlen(text1));
   return;
 }
 
@@ -163,7 +159,7 @@ void draw_edge(double vi[3], double vj[3], double scale, double xy0[2]){
   double pi[2], pj[2];
   r2sum(pi, xy0, vi);
   r2sum(pj, xy0, vj);
-  XDrawLine(world.dis, world.win, world.gc_dot[iw],
+  XDrawLine(world.dis, world.canv, world.gc_dot[iw],
       world.W/2+scale*pi[0], world.H/2-scale*pi[1],
       world.W/2+scale*pj[0], world.H/2-scale*pj[1]);
   return;
@@ -191,7 +187,7 @@ void drawshell(double rmin, double rmax, double scale, double xy0[2]){
   int x = world.W/2+d*xy0[0];
   int y = world.H/2-d*xy0[1];
   for(int i=0; i<2; i++){
-    XDrawArc(world.dis, world.win, world.gc_dot[i], x-r[i], y-r[i], 2*r[i], 2*r[i], 0, 360*64);
+    XDrawArc(world.dis, world.canv, world.gc_dot[i], x-r[i], y-r[i], 2*r[i], 2*r[i], 0, 360*64);
   }
   return;
 }
@@ -201,7 +197,19 @@ int savepic(char * s){
   a.valuemask = (0 | XpmSize) ;
   a.width     = world.W;
   a.height    = world.H;
-  XCopyArea (world.dis, world.win, world.px, world.gc_white, 0, 0, world.W, world.H, 0, 0);   /* with text */
   return XpmWriteFileFromPixmap(world.dis, s, world.px, 0, &a);
 }
 
+void clear_canv(){ // TODO other canvases?
+  if(world.canv == world.px){
+    XFillRectangle(world.dis, world.canv, world.gc_white, 0, 0, world.W, world.H);\
+  }
+  return;
+}
+
+void fill_canv(){
+  if(world.canv == world.px){ // TODO other canvases?
+    XCopyArea(world.dis, world.canv, world.win, world.gc_white, 0, 0, world.W, world.H, 0, 0);
+  }
+  return;
+}

From a655aa1cea4e172f3089a7981726b2a24317858d Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Mon, 16 Mar 2026 20:46:54 +0100
Subject: [PATCH 03/10] Refactor text-in-corner

---
 src/v/evr.c   | 46 ++++++++++++++++++++++++++++++++++++++++++++++
 src/v/tools.c | 46 ----------------------------------------------
 src/v/v.h     |  6 ++----
 src/v/x.c     | 16 ++++++----------
 4 files changed, 54 insertions(+), 60 deletions(-)

diff --git a/src/v/evr.c b/src/v/evr.c
index 0523f1a..3ca32af 100644
--- a/src/v/evr.c
+++ b/src/v/evr.c
@@ -13,6 +13,52 @@ static const double step_mod  = 0.03125;
 static const double rl_move_pbc_scale = 0.9;
 static const double vibration_amplitude = 0.1;
 
+static void ac3_text(atcoord * ac, drawpars * dp){
+  char text[STRLEN], text2[STRLEN], text_inp[STRLEN];
+  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
+  const int lines_red[MAX_LINES] = {[2] = 1};
+
+  int tp = snprintf(text, sizeof(text), "%*d / %d   r = %.1lf   rl = %.1lf", 1+(int)(log10(dp->N)), dp->n+1, dp->N, dp->rend.r, dp->bond.rl);
+  if( tp<sizeof(text)-1 && dp->anal.intcoord[0] ){
+    tp += snprintf(text+tp, sizeof(text)-tp, "  |  %d,%d,%d,%d,%d: %lf", dp->anal.intcoord[0], dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], dp->anal.intcoord[4], intcoord_calc(1, ac->n, dp->anal.intcoord, ac->r));
+  }
+  if( tp<sizeof(text)-1 && ac->sym[0] ){
+    tp += snprintf(text+tp, sizeof(text)-tp, "  |  PG: %s", ac->sym);
+  }
+
+  if(ac->nf[1]!=dp->N){
+    snprintf(text2, sizeof(text2), "%s (%*d / %d)", ac->fname, 1+(int)(log10(ac->nf[1])), ac->nf[0]+1, ac->nf[1]);
+    lines[1] = text2;
+  }
+
+  if(dp->ui.input==1){
+    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
+    lines[2] = text_inp;
+  }
+
+  textincorner(lines, lines_red);
+  setcaption(ac->fname);
+  return;
+}
+
+void vibro_text(vibr_t * ms, drawpars * dp){
+  char text[STRLEN], text_inp[STRLEN];
+  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
+  const int lines_red[MAX_LINES] = {[2] = 1};
+
+  double fq = ms->freq[dp->n];
+  char i = fq > 0.0 ? ' ' : 'i';
+  snprintf(text, sizeof(text),
+           "%*d / %d   freq = %.1lf%c cm-1   int = %.1lf km/mole   mass = %.1lf amu  |  r = %.1lf   rl = %.1lf",
+           1+(int)(log10(ms->n)), dp->n+1, ms->n, fabs(fq), i, ms->ints[dp->n], ms->mass[dp->n], dp->rend.r, dp->bond.rl);
+  if(dp->ui.input==1){
+    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
+    lines[2] = text_inp;
+  }
+  textincorner(lines, lines_red);
+  return;
+}
+
 static void redraw_ac3(object * ent, drawpars * dp){
   atcoord * ac = ent->m[dp->n];
 
diff --git a/src/v/tools.c b/src/v/tools.c
index 25a6d49..d700545 100644
--- a/src/v/tools.c
+++ b/src/v/tools.c
@@ -13,52 +13,6 @@ void obj_free(object * ent){
   return;
 }
 
-void ac3_text(atcoord * ac, drawpars * dp){
-  char text[STRLEN];
-  int tp = snprintf(text, sizeof(text),
-    "%*d / %d   r = %.1lf   rl = %.1lf",
-    1+(int)(log10(dp->N)), dp->n+1, dp->N, dp->rend.r, dp->bond.rl);
-  if( tp<sizeof(text)-1 && dp->anal.intcoord[0] ){
-    tp += snprintf(text+tp, sizeof(text)-tp, "  |  %d,%d,%d,%d,%d: %lf", dp->anal.intcoord[0], dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], dp->anal.intcoord[4], intcoord_calc(1, ac->n, dp->anal.intcoord, ac->r));
-  }
-  if( tp<sizeof(text)-1 && ac->sym[0] ){
-    tp += snprintf(text+tp, sizeof(text)-tp, "  |  PG: %s", ac->sym);
-  }
-  if(ac->nf[1]==dp->N){
-    textincorner(text, ac->fname);
-  }
-  else{
-    char text2[STRLEN];
-    snprintf(text2, sizeof(text2), "%s (%*d / %d)", ac->fname, 1+(int)(log10(ac->nf[1])), ac->nf[0]+1, ac->nf[1]);
-    textincorner(text, text2);
-  }
-
-  if(dp->ui.input==1){
-    char text3[STRLEN];
-    snprintf(text3, sizeof(text3), "JUMP TO >>> %s", dp->ui.input_text);
-    textincorner2(text3);
-  }
-
-  setcaption(ac->fname);
-  return;
-}
-
-void vibro_text(vibr_t * ms, drawpars * dp){
-  char text[STRLEN];
-  double fq = ms->freq[dp->n];
-  char i = fq > 0.0 ? ' ' : 'i';
-  snprintf(text, sizeof(text),
-           "%*d / %d   freq = %.1lf%c cm-1   int = %.1lf km/mole   mass = %.1lf amu  |  r = %.1lf   rl = %.1lf",
-           1+(int)(log10(ms->n)), dp->n+1, ms->n, fabs(fq), i, ms->ints[dp->n], ms->mass[dp->n], dp->rend.r, dp->bond.rl);
-  textincorner(text, dp->read.fname);
-  if(dp->ui.input==1){
-    char text3[STRLEN];
-    snprintf(text3, sizeof(text3), "JUMP TO >>> %s", dp->ui.input_text);
-    textincorner2(text3);
-  }
-  return;
-}
-
 void pg(atcoord * a, double symtol){
 
   int n = a->n;
diff --git a/src/v/v.h b/src/v/v.h
index c878382..74a6e93 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -7,6 +7,7 @@
 #define POINTER_SPEED 2.0
 #define STRLEN 256
 #define BIGSTRLEN 4096
+#define MAX_LINES 3
 
 #include "pars.h"
 
@@ -99,8 +100,7 @@ int get_element(char * s);
 void close_x      (void);
 void init_x       (const char * const capt, const colorscheme_t colorscheme);
 void init_font    (char * fontname);
-void textincorner (const char * const text1, const char * const text2);
-void textincorner2(const char * const text1);
+void textincorner (const char * const lines[MAX_LINES], const int red[MAX_LINES]);
 void setcaption   (const char * const capt);
 void drawvertices (double * v, double scale, double xy0[2]);
 void drawshell    (double rmin, double rmax, double scale, double * xy0);
@@ -112,8 +112,6 @@ int process_x_input(char input_text[STRLEN], unsigned int keycode);
 
 // tools.c
 void obj_free(object * ent);
-void ac3_text(atcoord * ac, drawpars * dp);
-void vibro_text(vibr_t * ms, drawpars * dp);
 void pg(atcoord * a, double symtol);
 
 // headless.c
diff --git a/src/v/x.c b/src/v/x.c
index 422a9af..671bf94 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -127,6 +127,7 @@ void init_font(char * fontname){
   world.fontInfo = XLoadQueryFont(world.dis, fontname);
   if(world.fontInfo){
     XSetFont (world.dis, world.gc_black, world.fontInfo->fid);
+    XSetFont (world.dis, world.gc_red,   world.fontInfo->fid);
   }
   else{
     PRINT_WARN("cannot load font '%s'\n", fontname);
@@ -134,21 +135,16 @@ void init_font(char * fontname){
   return;
 }
 
-void textincorner(const char * const text1, const char * const text2){
+void textincorner(const char * const lines[MAX_LINES], const int red[MAX_LINES]){
   int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
-  XDrawString(world.dis, world.canv, world.gc_black, 10, voffset, text1, strlen(text1));
-  if(text2){
-    XDrawString(world.dis, world.canv, world.gc_black, 10, voffset*2, text2, strlen(text2));
+  for(int i=0; i<MAX_LINES; i++){
+    if(lines[i]){
+      XDrawString(world.dis, world.canv, red[i] ? world.gc_red:world.gc_black, 10, voffset*(i+1), lines[i], strlen(lines[i]));
+    }
   }
   return;
 }
 
-void textincorner2(const char * const text1){
-  int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
-  XDrawString(world.dis, world.canv, world.gc_red, 10, voffset*3, text1, strlen(text1));
-  return;
-}
-
 void setcaption(const char * const capt){
   XStoreName(world.dis, world.win, capt);
   return;

From 19a2d80121a6ad625ec1aaad68290680cd71fce1 Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Mon, 16 Mar 2026 21:02:54 +0100
Subject: [PATCH 04/10] Move redraw functions to redraw.c

---
 obj/v.d          |   3 +-
 obj/v/evr.d      |   4 +-
 obj/v/headless.d |   3 +-
 obj/v/loop.d     |   3 +-
 obj/v/redraw.d   |   3 +
 src/v/evr.c      | 156 ++++++++---------------------------------------
 src/v/evr.h      |   8 ++-
 src/v/redraw.c   | 100 ++++++++++++++++++++++++++++++
 src/v/v.h        |   4 ++
 src/v/x.c        |   2 +-
 10 files changed, 146 insertions(+), 140 deletions(-)
 create mode 100644 obj/v/redraw.d
 create mode 100644 src/v/redraw.c

diff --git a/obj/v.d b/obj/v.d
index f0ff6dc..fafe15f 100644
--- a/obj/v.d
+++ b/obj/v.d
@@ -1,3 +1,2 @@
 obj/v.o obj-pic/v.o: src/v.c src/v/v.h src/mol/mol.h src/mol/common.h \
- src/v/pars.h src/v/x.h src/v/evr.h src/math/3d.h src/math/matrix.h \
- src/math/vecn.h
+ src/v/pars.h src/v/x.h src/v/evr.h
diff --git a/obj/v/evr.d b/obj/v/evr.d
index 540e7cf..6bf6af3 100644
--- a/obj/v/evr.d
+++ b/obj/v/evr.d
@@ -1,3 +1,3 @@
 obj/v/evr.o obj-pic/v/evr.o: src/v/evr.c src/v/v.h src/mol/mol.h \
- src/mol/common.h src/v/pars.h src/v/x.h src/v/evr.h src/math/3d.h \
- src/math/matrix.h src/math/vecn.h src/math/vec3.h
+ src/mol/common.h src/v/pars.h src/v/evr.h src/math/vec3.h src/math/3d.h \
+ src/math/matrix.h src/math/vecn.h
diff --git a/obj/v/headless.d b/obj/v/headless.d
index 3048fee..f1ae2e2 100644
--- a/obj/v/headless.d
+++ b/obj/v/headless.d
@@ -1,3 +1,2 @@
 obj/v/headless.o obj-pic/v/headless.o: src/v/headless.c src/v/v.h \
- src/mol/mol.h src/mol/common.h src/v/pars.h src/v/evr.h src/math/3d.h \
- src/math/matrix.h src/math/vecn.h
+ src/mol/mol.h src/mol/common.h src/v/pars.h src/v/evr.h
diff --git a/obj/v/loop.d b/obj/v/loop.d
index 4af8815..dfb61ee 100644
--- a/obj/v/loop.d
+++ b/obj/v/loop.d
@@ -1,3 +1,2 @@
 obj/v/loop.o obj-pic/v/loop.o: src/v/loop.c src/v/v.h src/mol/mol.h \
- src/mol/common.h src/v/pars.h src/v/x.h src/v/evr.h src/math/3d.h \
- src/math/matrix.h src/math/vecn.h
+ src/mol/common.h src/v/pars.h src/v/x.h src/v/evr.h
diff --git a/obj/v/redraw.d b/obj/v/redraw.d
new file mode 100644
index 0000000..0642b21
--- /dev/null
+++ b/obj/v/redraw.d
@@ -0,0 +1,3 @@
+obj/v/redraw.o obj-pic/v/redraw.o: src/v/redraw.c src/v/v.h src/mol/mol.h \
+ src/mol/common.h src/v/pars.h src/v/evr.h src/math/vec3.h \
+ src/math/vecn.h
diff --git a/src/v/evr.c b/src/v/evr.c
index 3ca32af..9e98258 100644
--- a/src/v/evr.c
+++ b/src/v/evr.c
@@ -1,114 +1,10 @@
 #include "v.h"
-#include "x.h"
 #include "evr.h"
 #include "vec3.h"
+#include "3d.h"
 
 #define EPS_INV 1e-15
 
-static const double step_rot  = M_PI/90.0;
-static const double step_move = 0.2;
-static const double step_zoom = 1.1;
-static const double step_r    = 1.1;
-static const double step_mod  = 0.03125;
-static const double rl_move_pbc_scale = 0.9;
-static const double vibration_amplitude = 0.1;
-
-static void ac3_text(atcoord * ac, drawpars * dp){
-  char text[STRLEN], text2[STRLEN], text_inp[STRLEN];
-  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
-  const int lines_red[MAX_LINES] = {[2] = 1};
-
-  int tp = snprintf(text, sizeof(text), "%*d / %d   r = %.1lf   rl = %.1lf", 1+(int)(log10(dp->N)), dp->n+1, dp->N, dp->rend.r, dp->bond.rl);
-  if( tp<sizeof(text)-1 && dp->anal.intcoord[0] ){
-    tp += snprintf(text+tp, sizeof(text)-tp, "  |  %d,%d,%d,%d,%d: %lf", dp->anal.intcoord[0], dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], dp->anal.intcoord[4], intcoord_calc(1, ac->n, dp->anal.intcoord, ac->r));
-  }
-  if( tp<sizeof(text)-1 && ac->sym[0] ){
-    tp += snprintf(text+tp, sizeof(text)-tp, "  |  PG: %s", ac->sym);
-  }
-
-  if(ac->nf[1]!=dp->N){
-    snprintf(text2, sizeof(text2), "%s (%*d / %d)", ac->fname, 1+(int)(log10(ac->nf[1])), ac->nf[0]+1, ac->nf[1]);
-    lines[1] = text2;
-  }
-
-  if(dp->ui.input==1){
-    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
-    lines[2] = text_inp;
-  }
-
-  textincorner(lines, lines_red);
-  setcaption(ac->fname);
-  return;
-}
-
-void vibro_text(vibr_t * ms, drawpars * dp){
-  char text[STRLEN], text_inp[STRLEN];
-  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
-  const int lines_red[MAX_LINES] = {[2] = 1};
-
-  double fq = ms->freq[dp->n];
-  char i = fq > 0.0 ? ' ' : 'i';
-  snprintf(text, sizeof(text),
-           "%*d / %d   freq = %.1lf%c cm-1   int = %.1lf km/mole   mass = %.1lf amu  |  r = %.1lf   rl = %.1lf",
-           1+(int)(log10(ms->n)), dp->n+1, ms->n, fabs(fq), i, ms->ints[dp->n], ms->mass[dp->n], dp->rend.r, dp->bond.rl);
-  if(dp->ui.input==1){
-    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
-    lines[2] = text_inp;
-  }
-  textincorner(lines, lines_red);
-  return;
-}
-
-static void redraw_ac3(object * ent, drawpars * dp){
-  atcoord * ac = ent->m[dp->n];
-
-  if(dp->rend.bonds>0){
-    bonds_fill(dp->bond, ac);
-  }
-
-  clear_canv();
-  ac3_draw(ac, dp->rend);
-  ac3_text(ac, dp);
-
-  if(dp->cell.vert == 1){
-    double v[24];
-    for(int i=0; i<8; i++){
-      r3mx (v+3*i, dp->cell.vertices+3*i, dp->rend.ac3rmx);
-    }
-    drawvertices(v, dp->rend.scale, dp->rend.xy0);
-  }
-  else if(dp->cell.vert == 2){
-    drawshell(dp->cell.vertices[0], dp->cell.vertices[1], dp->rend.scale, dp->rend.xy0);
-  }
-  fill_canv();
-
-  return;
-}
-
-static void redraw_vibro(object * ent, drawpars * dp){
-
-  atcoord * m  = ent->m[0];
-  double  * r0 = ent->vib->r0;
-  double  * dr = ent->vib->disp + dp->n * m->n*3;
-
-  if(dp->rend.bonds>0){
-    bonds_fill(dp->bond, m);
-  }
-
-  vecsums(m->n*3, m->r, r0, dr, sin( dp->anim.t * 2.0*M_PI/TMAX ) * vibration_amplitude*sqrt(m->n) );
-  for(int j=0; j<m->n; j++){
-    double v[3];
-    r3mx(v, m->r+3*j, dp->rend.ac3rmx);
-    r3cp(m->r+3*j, v);
-  }
-
-  clear_canv();
-  ac3_draw(m, dp->rend);
-  vibro_text(ent->vib, dp);
-  fill_canv();
-  return;
-}
-
 void kp_readmore(object * ent, drawpars * dp){
   if(dp->task == AT3COORDS){
     object * acs = ent;
@@ -195,7 +91,7 @@ static void rl_changed(object * ent, drawpars * dp){
 
 void kp_rl_dec(object * ent, drawpars * dp){
   if(dp->rend.bonds>0){
-    dp->bond.rl /= step_r;
+    dp->bond.rl /= STEP_R;
     rl_changed(ent, dp);
   }
   return;
@@ -203,32 +99,32 @@ void kp_rl_dec(object * ent, drawpars * dp){
 
 void kp_rl_inc(object * ent, drawpars * dp){
   if(dp->rend.bonds>0){
-    dp->bond.rl *= step_r;
+    dp->bond.rl *= STEP_R;
     rl_changed(ent, dp);
   }
   return;
 }
 
 void kp_r_dec(object * ent, drawpars * dp){
-  dp->rend.r /= step_r;
+  dp->rend.r /= STEP_R;
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_r_inc(object * ent, drawpars * dp){
-  dp->rend.r *= step_r;
+  dp->rend.r *= STEP_R;
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_zoom_out(object * ent, drawpars * dp){
-  dp->rend.scale /= step_zoom;
+  dp->rend.scale /= STEP_ZOOM;
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_zoom_in(object * ent, drawpars * dp){
-  dp->rend.scale *= step_zoom;
+  dp->rend.scale *= STEP_ZOOM;
   exp_redraw(ent, dp);
   return;
 }
@@ -274,7 +170,7 @@ void rot_ent_pointer(object * ent, drawpars * dp, int dx, int dy, double speed){
 
 static void rot_ent(object * ent, drawpars * dp, int axis, double angle){
   if(dp->ui.modkey){
-    angle *= step_mod;
+    angle *= STEP_MOD;
   }
 
   double m[9];
@@ -290,37 +186,37 @@ static void rot_ent(object * ent, drawpars * dp, int axis, double angle){
 }
 
 void kp_rotx_l(object * ent, drawpars * dp){
-  rot_ent(ent, dp, 0, +step_rot);
+  rot_ent(ent, dp, 0, +STEP_ROT);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_rotx_r(object * ent, drawpars * dp){
-  rot_ent(ent, dp, 0, -step_rot);
+  rot_ent(ent, dp, 0, -STEP_ROT);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_roty_l(object * ent, drawpars * dp){
-  rot_ent(ent, dp, 1, +step_rot);
+  rot_ent(ent, dp, 1, +STEP_ROT);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_roty_r(object * ent, drawpars * dp){
-  rot_ent(ent, dp, 1, -step_rot);
+  rot_ent(ent, dp, 1, -STEP_ROT);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_rotz_l(object * ent, drawpars * dp){
-  rot_ent(ent, dp, 2, +step_rot);
+  rot_ent(ent, dp, 2, +STEP_ROT);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_rotz_r(object * ent, drawpars * dp){
-  rot_ent(ent, dp, 2, -step_rot);
+  rot_ent(ent, dp, 2, -STEP_ROT);
   exp_redraw(ent, dp);
   return;
 }
@@ -354,7 +250,7 @@ static void move_pbc(object * acs, drawpars * dp, int dir, double d){
     }
     if(dp->rend.bonds>0){
       acs->m[i]->bonds.flag = 0;
-      acs->m[i]->bonds.rl *= rl_move_pbc_scale;
+      acs->m[i]->bonds.rl *= RL_MOVE_PBC_SCALE;
     }
   }
   return;
@@ -362,7 +258,7 @@ static void move_pbc(object * acs, drawpars * dp, int dir, double d){
 
 static void move_ent(object * ent, drawpars * dp, int dir, double step){
   if(dp->ui.modkey){
-    step *= step_mod;
+    step *= STEP_MOD;
   }
   if(dp->cell.vert == 1){
     move_pbc(ent, dp, dir, step);
@@ -374,25 +270,25 @@ static void move_ent(object * ent, drawpars * dp, int dir, double step){
 }
 
 void kp_move_l(object * ent, drawpars * dp){
-  move_ent(ent, dp, 0, -step_move);
+  move_ent(ent, dp, 0, -STEP_MOVE);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_move_r(object * ent, drawpars * dp){
-  move_ent(ent, dp, 0, +step_move);
+  move_ent(ent, dp, 0, +STEP_MOVE);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_move_u(object * ent, drawpars * dp){
-  move_ent(ent, dp, 1, +step_move);
+  move_ent(ent, dp, 1, +STEP_MOVE);
   exp_redraw(ent, dp);
   return;
 }
 
 void kp_move_d(object * ent, drawpars * dp){
-  move_ent(ent, dp, 1, -step_move);
+  move_ent(ent, dp, 1, -STEP_MOVE);
   exp_redraw(ent, dp);
   return;
 }
@@ -489,11 +385,11 @@ static void savevib(drawpars * dp, int c){
   char s[STRLEN];
   int  l = (int)(log10( dp->N + 0.5 )) + 1;
   snprintf(s, sizeof(s), "%s_%0*d_%02d.xpm", dp->read.fname, l, dp->n+1, c);
-  if (savepic(s) != XpmSuccess){
-    PRINT_ERR("cannot save '%s'\n", s);
+  if(savepic(s)){
+    fprintf(stderr, "%s\n", s);
   }
   else{
-    fprintf(stderr, "%s\n", s);
+    PRINT_ERR("cannot save '%s'\n", s);
   }
   return;
 }
@@ -503,11 +399,11 @@ void kp_savepic(object * ent __attribute__ ((unused)), drawpars * dp){
   int  l = (int)(log10(dp->N+0.5))+1;
   atcoord * ac = ent->m[dp->n];
   snprintf(s, sizeof(s), "%s_%0*d.xpm", ac->fname, l, dp->n+1);
-  if (savepic(s) != XpmSuccess){
-    PRINT_ERR("cannot save '%s'\n", s);
+  if(savepic(s)){
+    fprintf(stderr, "%s\n", s);
   }
   else{
-    fprintf(stderr, "%s\n", s);
+    PRINT_ERR("cannot save '%s'\n", s);
   }
   return;
 }
diff --git a/src/v/evr.h b/src/v/evr.h
index 949e32d..52302aa 100644
--- a/src/v/evr.h
+++ b/src/v/evr.h
@@ -1,5 +1,11 @@
-#include "3d.h"
 #define TMAX 20
+#define VIBR_AMP   0.1
+#define STEP_ROT  (M_PI/90.0)
+#define STEP_MOVE  0.2
+#define STEP_ZOOM  1.1
+#define STEP_R     1.1
+#define STEP_MOD   0.03125
+#define RL_MOVE_PBC_SCALE 0.9
 
 void kp_readmore (object * ent, drawpars * dp);
 void kp_readagain(object * ent, drawpars * dp);
diff --git a/src/v/redraw.c b/src/v/redraw.c
new file mode 100644
index 0000000..3d57a3d
--- /dev/null
+++ b/src/v/redraw.c
@@ -0,0 +1,100 @@
+#include "v.h"
+#include "evr.h"
+#include "vec3.h"
+#include "vecn.h"
+
+static void ac3_text(atcoord * ac, drawpars * dp){
+  char text[STRLEN], text2[STRLEN], text_inp[STRLEN];
+  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
+  const int lines_red[MAX_LINES] = {[2] = 1};
+
+  int tp = snprintf(text, sizeof(text), "%*d / %d   r = %.1lf   rl = %.1lf", 1+(int)(log10(dp->N)), dp->n+1, dp->N, dp->rend.r, dp->bond.rl);
+  if( tp<sizeof(text)-1 && dp->anal.intcoord[0] ){
+    tp += snprintf(text+tp, sizeof(text)-tp, "  |  %d,%d,%d,%d,%d: %lf", dp->anal.intcoord[0], dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], dp->anal.intcoord[4], intcoord_calc(1, ac->n, dp->anal.intcoord, ac->r));
+  }
+  if( tp<sizeof(text)-1 && ac->sym[0] ){
+    tp += snprintf(text+tp, sizeof(text)-tp, "  |  PG: %s", ac->sym);
+  }
+
+  if(ac->nf[1]!=dp->N){
+    snprintf(text2, sizeof(text2), "%s (%*d / %d)", ac->fname, 1+(int)(log10(ac->nf[1])), ac->nf[0]+1, ac->nf[1]);
+    lines[1] = text2;
+  }
+
+  if(dp->ui.input==1){
+    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
+    lines[2] = text_inp;
+  }
+
+  textincorner(lines, lines_red);
+  setcaption(ac->fname);
+  return;
+}
+
+void vibro_text(vibr_t * ms, drawpars * dp){
+  char text[STRLEN], text_inp[STRLEN];
+  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
+  const int lines_red[MAX_LINES] = {[2] = 1};
+
+  double fq = ms->freq[dp->n];
+  char i = fq > 0.0 ? ' ' : 'i';
+  snprintf(text, sizeof(text),
+           "%*d / %d   freq = %.1lf%c cm-1   int = %.1lf km/mole   mass = %.1lf amu  |  r = %.1lf   rl = %.1lf",
+           1+(int)(log10(ms->n)), dp->n+1, ms->n, fabs(fq), i, ms->ints[dp->n], ms->mass[dp->n], dp->rend.r, dp->bond.rl);
+  if(dp->ui.input==1){
+    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
+    lines[2] = text_inp;
+  }
+  textincorner(lines, lines_red);
+  return;
+}
+
+void redraw_ac3(object * ent, drawpars * dp){
+  atcoord * ac = ent->m[dp->n];
+
+  if(dp->rend.bonds>0){
+    bonds_fill(dp->bond, ac);
+  }
+
+  clear_canv();
+  ac3_draw(ac, dp->rend);
+  ac3_text(ac, dp);
+
+  if(dp->cell.vert == 1){
+    double v[24];
+    for(int i=0; i<8; i++){
+      r3mx (v+3*i, dp->cell.vertices+3*i, dp->rend.ac3rmx);
+    }
+    drawvertices(v, dp->rend.scale, dp->rend.xy0);
+  }
+  else if(dp->cell.vert == 2){
+    drawshell(dp->cell.vertices[0], dp->cell.vertices[1], dp->rend.scale, dp->rend.xy0);
+  }
+  fill_canv();
+
+  return;
+}
+
+void redraw_vibro(object * ent, drawpars * dp){
+
+  atcoord * m  = ent->m[0];
+  double  * r0 = ent->vib->r0;
+  double  * dr = ent->vib->disp + dp->n * m->n*3;
+
+  if(dp->rend.bonds>0){
+    bonds_fill(dp->bond, m);
+  }
+
+  vecsums(m->n*3, m->r, r0, dr, sin( dp->anim.t * 2.0*M_PI/TMAX ) * VIBR_AMP*sqrt(m->n) );
+  for(int j=0; j<m->n; j++){
+    double v[3];
+    r3mx(v, m->r+3*j, dp->rend.ac3rmx);
+    r3cp(m->r+3*j, v);
+  }
+
+  clear_canv();
+  ac3_draw(m, dp->rend);
+  vibro_text(ent->vib, dp);
+  fill_canv();
+  return;
+}
diff --git a/src/v/v.h b/src/v/v.h
index 74a6e93..0330f56 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -81,6 +81,10 @@ allpars cli_parse(int argc, char ** argv);
 // loop.c
 void main_loop(object * ent, drawpars * dp, ptf kp[NKP]);
 
+// redraw.c
+void redraw_ac3(object * ent, drawpars * dp);
+void redraw_vibro(object * ent, drawpars * dp);
+
 // ac3_draw.c
 void ac3_draw      (atcoord * ac, rendpars rend);
 // ac3_print.c
diff --git a/src/v/x.c b/src/v/x.c
index 671bf94..4c14c6a 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -193,7 +193,7 @@ int savepic(char * s){
   a.valuemask = (0 | XpmSize) ;
   a.width     = world.W;
   a.height    = world.H;
-  return XpmWriteFileFromPixmap(world.dis, s, world.px, 0, &a);
+  return XpmWriteFileFromPixmap(world.dis, s, world.px, 0, &a)==XpmSuccess;
 }
 
 void clear_canv(){ // TODO other canvases?

From d4c62797fa151d9a45335a92202940ccef3231d2 Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Mon, 16 Mar 2026 21:12:43 +0100
Subject: [PATCH 05/10] Rememeber world size instead of recomputing

---
 src/v/ac3_draw.c |  4 ++--
 src/v/loop.c     |  3 ++-
 src/v/x.c        | 10 +++++-----
 src/v/x.h        |  2 +-
 4 files changed, 10 insertions(+), 9 deletions(-)

diff --git a/src/v/ac3_draw.c b/src/v/ac3_draw.c
index da6f1bc..bf93d9f 100644
--- a/src/v/ac3_draw.c
+++ b/src/v/ac3_draw.c
@@ -37,8 +37,8 @@ void ac3_draw(atcoord * ac, rendpars rend){
   kzstr * kz = malloc(sizeof(kzstr)*n);
   int   * ks = (rend.bonds>0) ? malloc(sizeof(int)*n) : NULL;
 
-  double d     = MIN(world.H,world.W) * rend.scale;
-  double resol = MIN(world.H,world.W) * RESOL_SCALE;
+  double d     = world.size * rend.scale;
+  double resol = world.size * RESOL_SCALE;
   double r1  = rend.r * resol * rend.scale;
 
   for(int k=0; k<n; k++){
diff --git a/src/v/loop.c b/src/v/loop.c
index 2efd4f7..667f251 100644
--- a/src/v/loop.c
+++ b/src/v/loop.c
@@ -16,7 +16,7 @@ static void process_mouse(XMotionEvent * event, object * ent, drawpars * dp, mou
   if(mouse->click){
     int x = event->x;
     int y = event->y;
-    rot_ent_pointer(ent, dp, x-mouse->x0, y-mouse->y0, POINTER_SPEED/MIN(world.W,world.H));
+    rot_ent_pointer(ent, dp, x-mouse->x0, y-mouse->y0, POINTER_SPEED/world.size);
     exp_redraw(ent, dp);
     mouse->x0 = x;
     mouse->y0 = y;
@@ -103,6 +103,7 @@ void main_loop(object * ent, drawpars * dp, ptf kp[NKP]){
     else if(event->type == ConfigureNotify){
       world.W = event->xconfigure.width;
       world.H = event->xconfigure.height;
+      world.size = MIN(world.H, world.W);
       dp->rend.xy0[0] = dp->rend.xy0[1] = 0.0;
       exp_redraw(ent, dp);
     }
diff --git a/src/v/x.c b/src/v/x.c
index 4c14c6a..d5196d9 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -59,6 +59,7 @@ void init_x(const char * const capt, const colorscheme_t colorscheme){
   int screen = DefaultScreen(dis);
   world.W = DisplayWidth  (dis, screen);
   world.H = DisplayHeight (dis, screen);
+  world.size = MIN(world.H, world.W);
 
   unsigned long bp = BlackPixel (dis, screen);
   unsigned long wp = WhitePixel (dis, screen);
@@ -105,11 +106,10 @@ void init_x(const char * const capt, const colorscheme_t colorscheme){
 
 static void autosize_font(char * fontname){
   const int screen_sizes[] = {1200, 1080, 960, 900, 840, 768};
-  const int font_sizes[]   = {  24,   20,  18,  16,  15,  14}; //  font_size='ceil'(screen_size) / 60
+  const int font_sizes[]   = {  24,   20,  18,  16,  15,  14}; //  font_size='ceil'(world.size) / 60
   int font_size = 13;
-  int screen_size = MIN(world.W, world.H);
   for(int i=0; i<sizeof(screen_sizes)/sizeof(screen_sizes[0]); i++){
-    if(screen_size>screen_sizes[i]){
+    if(world.size>screen_sizes[i]){
       font_size = font_sizes[i];
       break;
     }
@@ -162,7 +162,7 @@ void draw_edge(double vi[3], double vj[3], double scale, double xy0[2]){
 }
 
 void drawvertices(double * v, double scale, double xy0[2]){
-  double d = MIN(world.H, world.W)*scale;
+  double d = world.size * scale;
 #define LINE(i,j) draw_edge(v+(i)*3, v+(j)*3, d, xy0)
   for(int i=0; i<8; i+=2){
     LINE(i,i+1); // || z-axis
@@ -178,7 +178,7 @@ void drawvertices(double * v, double scale, double xy0[2]){
 }
 
 void drawshell(double rmin, double rmax, double scale, double xy0[2]){
-  double d = MIN(world.H,world.W)*scale;
+  double d = world.size * scale;
   double r[] = {rmax*d, rmin*d};
   int x = world.W/2+d*xy0[0];
   int y = world.H/2-d*xy0[1];
diff --git a/src/v/x.h b/src/v/x.h
index 9e51422..c2a9674 100644
--- a/src/v/x.h
+++ b/src/v/x.h
@@ -13,5 +13,5 @@ typedef struct {
   Pixmap    px;
   Drawable  canv;
   XFontStruct * fontInfo;
-  int       W,H;
+  int       W, H, size;
 } draw_world_t;

From 8a98d8c8432b7626090c56a188b6de2fb48c927d Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Mon, 16 Mar 2026 21:49:51 +0100
Subject: [PATCH 06/10] Unify drawing wrt screen center

---
 obj/v/x.d        |  4 +--
 src/math/vec2.h  | 73 ------------------------------------------------
 src/v/ac3_draw.c |  5 ----
 src/v/pars.h     | 11 ++++----
 src/v/redraw.c   |  4 +--
 src/v/v.h        |  4 +--
 src/v/x.c        | 25 ++++++-----------
 src/v/x.h        |  3 ++
 8 files changed, 23 insertions(+), 106 deletions(-)
 delete mode 100644 src/math/vec2.h

diff --git a/obj/v/x.d b/obj/v/x.d
index a00fd1b..4491afd 100644
--- a/obj/v/x.d
+++ b/obj/v/x.d
@@ -1,3 +1,3 @@
 obj/v/x.o obj-pic/v/x.o: src/v/x.c src/v/v.h src/mol/mol.h \
- src/mol/common.h src/v/pars.h src/v/x.h src/math/vec2.h \
- src/mol/palette_v.h src/mol/palette_cpk.h
+ src/mol/common.h src/v/pars.h src/v/x.h src/mol/palette_v.h \
+ src/mol/palette_cpk.h
diff --git a/src/math/vec2.h b/src/math/vec2.h
deleted file mode 100644
index da7bbf1..0000000
--- a/src/math/vec2.h
+++ /dev/null
@@ -1,73 +0,0 @@
-
-static inline double r2dot (double * u, double * v){
-  return (u[0]*v[0] + u[1]*v[1]);
-}
-
-static inline double r2x (double * u, double * v){
-  return u[0]*v[1]-u[1]*v[0];
-}
-
-static inline void r2mx (double * u, double * v, double * m){
-  u[0] =  v[0]*m[0] + v[1]*m[1];
-  u[1] =  v[0]*m[2] + v[1]*m[3];
-  return;
-}
-
-static inline void r2scal (double * u, double c){
-  u[0] *= c;
-  u[1] *= c;
-  return;
-}
-
-static inline void r2adds (double * u, double * v, double c){
-  u[0] += c*v[0];
-  u[1] += c*v[1];
-  return;
-}
-
-static inline void r2add (double * u, double * v){
-  u[0] += v[0];
-  u[1] += v[1];
-  return;
-}
-
-static inline void r2min (double * u, double * v){
-  u[0] -= v[0];
-  u[1] -= v[1];
-  return;
-}
-
-static inline void r2sum (double * w, double * u, double * v){
-  w[0] = u[0] + v[0];
-  w[1] = u[1] + v[1];
-  return;
-}
-
-static inline void r2diff (double * w, double * u, double * v){
-  w[0] = u[0] - v[0];
-  w[1] = u[1] - v[1];
-  return;
-}
-
-static inline void r2cp (double * u, double * v){
-  u[0] = v[0];
-  u[1] = v[1];
-  return;
-}
-
-static inline void cart2raw(double r[3], double x, double y){
-#define EPS 1e-10
-    r[0] = sqrt(x*x+y*y);
-
-    if (r[0]<EPS){
-      r[1] = 0.0;
-      r[2] = 1.0;
-    }
-    else{
-      double t = 1.0/r[0];
-      r[1] = x*t;   // cos
-      r[2] = y*t;   // sin
-    }
-    return;
-#undef EPS
-}
diff --git a/src/v/ac3_draw.c b/src/v/ac3_draw.c
index bf93d9f..d06b405 100644
--- a/src/v/ac3_draw.c
+++ b/src/v/ac3_draw.c
@@ -29,15 +29,10 @@ static int cmpz(const void * p1, const void * p2){
 }
 
 void ac3_draw(atcoord * ac, rendpars rend){
-
-#define SCREEN_X(X)  (world.W/2 + d*(rend.xy0[0] + (X)))
-#define SCREEN_Y(Y)  (world.H/2 - d*(rend.xy0[1] + (Y)))
-
   int n = ac->n;
   kzstr * kz = malloc(sizeof(kzstr)*n);
   int   * ks = (rend.bonds>0) ? malloc(sizeof(int)*n) : NULL;
 
-  double d     = world.size * rend.scale;
   double resol = world.size * RESOL_SCALE;
   double r1  = rend.r * resol * rend.scale;
 
diff --git a/src/v/pars.h b/src/v/pars.h
index a347ec1..a536b12 100644
--- a/src/v/pars.h
+++ b/src/v/pars.h
@@ -10,11 +10,11 @@ typedef enum {
 } colorscheme_t;
 
 typedef struct {
+  colorscheme_t  colors;   // colorscheme (v or cpk)
   int               gui;   // if gui is enabled
-  char       * fontname;   // font
   int     input_files_n;   // number of input files
+  char       * fontname;   // font
   char   ** input_files;   // input files
-  colorscheme_t  colors;   // colorscheme (v or cpk)
 } initpars;
 
 typedef struct {
@@ -28,13 +28,12 @@ typedef struct {
   int bohr;     // 0: Å        1: Bohr
 } geompars;
 
-
 typedef struct {
-  int    closed;        // 1: time to go
+  char   input_text[STRLEN];
   char * com;           // command string for gui:0
   char * on_exit;       // command string to run on exit
-  int input;            // 0=no input regime, 1=jump, ...
-  char input_text[STRLEN];
+  int    closed;        // 1: time to go
+  int    input;         // 0=no input regime, 1=jump, ...
   int    modkey;        // whether ctrl or shift are pressed
 } uipars;
 
diff --git a/src/v/redraw.c b/src/v/redraw.c
index 3d57a3d..cf7917e 100644
--- a/src/v/redraw.c
+++ b/src/v/redraw.c
@@ -65,10 +65,10 @@ void redraw_ac3(object * ent, drawpars * dp){
     for(int i=0; i<8; i++){
       r3mx (v+3*i, dp->cell.vertices+3*i, dp->rend.ac3rmx);
     }
-    drawvertices(v, dp->rend.scale, dp->rend.xy0);
+    drawvertices(v, dp->rend);
   }
   else if(dp->cell.vert == 2){
-    drawshell(dp->cell.vertices[0], dp->cell.vertices[1], dp->rend.scale, dp->rend.xy0);
+    drawshell(dp->cell.vertices, dp->rend);
   }
   fill_canv();
 
diff --git a/src/v/v.h b/src/v/v.h
index 0330f56..3bdc0a2 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -106,8 +106,8 @@ void init_x       (const char * const capt, const colorscheme_t colorscheme);
 void init_font    (char * fontname);
 void textincorner (const char * const lines[MAX_LINES], const int red[MAX_LINES]);
 void setcaption   (const char * const capt);
-void drawvertices (double * v, double scale, double xy0[2]);
-void drawshell    (double rmin, double rmax, double scale, double * xy0);
+void drawvertices (double * v, rendpars rend);
+void drawshell    (double r[2], rendpars rend);
 int  savepic      (char * s);
 void clear_canv();
 void fill_canv();
diff --git a/src/v/x.c b/src/v/x.c
index d5196d9..984fd7b 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -1,6 +1,5 @@
 #include "v.h"
 #include "x.h"
-#include "vec2.h"
 
 extern draw_world_t world;
 
@@ -150,20 +149,15 @@ void setcaption(const char * const capt){
   return;
 }
 
-void draw_edge(double vi[3], double vj[3], double scale, double xy0[2]){
+void draw_edge(double vi[3], double vj[3], rendpars rend){
   int iw = (vi[2]>0.0 || vj[2]>0.0) ? 0 : 1;
-  double pi[2], pj[2];
-  r2sum(pi, xy0, vi);
-  r2sum(pj, xy0, vj);
   XDrawLine(world.dis, world.canv, world.gc_dot[iw],
-      world.W/2+scale*pi[0], world.H/2-scale*pi[1],
-      world.W/2+scale*pj[0], world.H/2-scale*pj[1]);
+      SCREEN_X(vi[0]), SCREEN_Y(vi[1]), SCREEN_X(vj[0]), SCREEN_Y(vj[1]));
   return;
 }
 
-void drawvertices(double * v, double scale, double xy0[2]){
-  double d = world.size * scale;
-#define LINE(i,j) draw_edge(v+(i)*3, v+(j)*3, d, xy0)
+void drawvertices(double * v, rendpars rend){
+#define LINE(i,j) draw_edge(v+(i)*3, v+(j)*3, rend)
   for(int i=0; i<8; i+=2){
     LINE(i,i+1); // || z-axis
   }
@@ -177,13 +171,12 @@ void drawvertices(double * v, double scale, double xy0[2]){
   return;
 }
 
-void drawshell(double rmin, double rmax, double scale, double xy0[2]){
-  double d = world.size * scale;
-  double r[] = {rmax*d, rmin*d};
-  int x = world.W/2+d*xy0[0];
-  int y = world.H/2-d*xy0[1];
+void drawshell(double r[2], rendpars rend){
+  double d = world.size * rend.scale;
   for(int i=0; i<2; i++){
-    XDrawArc(world.dis, world.canv, world.gc_dot[i], x-r[i], y-r[i], 2*r[i], 2*r[i], 0, 360*64);
+    XDrawArc(world.dis, world.canv, world.gc_dot[1-i],
+        SCREEN_X(-r[i]), SCREEN_Y(r[i]),
+        2*r[i]*d, 2*r[i]*d, 0, 360*64);
   }
   return;
 }
diff --git a/src/v/x.h b/src/v/x.h
index c2a9674..60ef34b 100644
--- a/src/v/x.h
+++ b/src/v/x.h
@@ -6,6 +6,9 @@
 
 #define NCOLORS 110
 
+#define SCREEN_X(X)  (world.W/2 + world.size * rend.scale*(rend.xy0[0] + (X)))
+#define SCREEN_Y(Y)  (world.H/2 - world.size * rend.scale*(rend.xy0[1] + (Y)))
+
 typedef struct {
   Display * dis;
   Window    win;

From b572575dfead9e50e9111631d2061a36c8f29d4c Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Tue, 17 Mar 2026 15:49:33 +0100
Subject: [PATCH 07/10] Optimize rotations

---
 obj/v.d           |   3 +-
 obj/v/ac3_print.d |   2 +-
 obj/v/evr.d       |   4 +-
 obj/v/headless.d  |   3 +-
 obj/v/loop.d      |   3 +-
 obj/v/redraw.d    |   4 +-
 src/math/3d.h     |   6 ++-
 src/math/matrix.c |   2 +-
 src/math/matrix.h |   2 +-
 src/math/rot3d.c  |  24 +++++++----
 src/math/vec3.h   |  45 +++++++++++---------
 src/v/ac3_print.c |  14 +++----
 src/v/ac3_read.c  |  15 ++++---
 src/v/evr.c       | 104 ++++++++++++++++++----------------------------
 src/v/evr.h       |  17 ++++++++
 src/v/headless.c  |   6 +--
 src/v/load.c      |  18 +-------
 src/v/redraw.c    |  35 +++++-----------
 src/v/v.h         |   8 ++--
 19 files changed, 152 insertions(+), 163 deletions(-)

diff --git a/obj/v.d b/obj/v.d
index fafe15f..f0ff6dc 100644
--- a/obj/v.d
+++ b/obj/v.d
@@ -1,2 +1,3 @@
 obj/v.o obj-pic/v.o: src/v.c src/v/v.h src/mol/mol.h src/mol/common.h \
- src/v/pars.h src/v/x.h src/v/evr.h
+ src/v/pars.h src/v/x.h src/v/evr.h src/math/3d.h src/math/matrix.h \
+ src/math/vecn.h
diff --git a/obj/v/ac3_print.d b/obj/v/ac3_print.d
index 197fbc5..0ca5016 100644
--- a/obj/v/ac3_print.d
+++ b/obj/v/ac3_print.d
@@ -1,2 +1,2 @@
 obj/v/ac3_print.o obj-pic/v/ac3_print.o: src/v/ac3_print.c src/v/v.h \
- src/mol/mol.h src/mol/common.h src/v/pars.h
+ src/mol/mol.h src/mol/common.h src/v/pars.h src/math/vec3.h
diff --git a/obj/v/evr.d b/obj/v/evr.d
index 6bf6af3..349aa02 100644
--- a/obj/v/evr.d
+++ b/obj/v/evr.d
@@ -1,3 +1,3 @@
 obj/v/evr.o obj-pic/v/evr.o: src/v/evr.c src/v/v.h src/mol/mol.h \
- src/mol/common.h src/v/pars.h src/v/evr.h src/math/vec3.h src/math/3d.h \
- src/math/matrix.h src/math/vecn.h
+ src/mol/common.h src/v/pars.h src/v/evr.h src/math/3d.h \
+ src/math/matrix.h src/math/vecn.h src/math/vec3.h
diff --git a/obj/v/headless.d b/obj/v/headless.d
index f1ae2e2..3048fee 100644
--- a/obj/v/headless.d
+++ b/obj/v/headless.d
@@ -1,2 +1,3 @@
 obj/v/headless.o obj-pic/v/headless.o: src/v/headless.c src/v/v.h \
- src/mol/mol.h src/mol/common.h src/v/pars.h src/v/evr.h
+ src/mol/mol.h src/mol/common.h src/v/pars.h src/v/evr.h src/math/3d.h \
+ src/math/matrix.h src/math/vecn.h
diff --git a/obj/v/loop.d b/obj/v/loop.d
index dfb61ee..4af8815 100644
--- a/obj/v/loop.d
+++ b/obj/v/loop.d
@@ -1,2 +1,3 @@
 obj/v/loop.o obj-pic/v/loop.o: src/v/loop.c src/v/v.h src/mol/mol.h \
- src/mol/common.h src/v/pars.h src/v/x.h src/v/evr.h
+ src/mol/common.h src/v/pars.h src/v/x.h src/v/evr.h src/math/3d.h \
+ src/math/matrix.h src/math/vecn.h
diff --git a/obj/v/redraw.d b/obj/v/redraw.d
index 0642b21..f33fa35 100644
--- a/obj/v/redraw.d
+++ b/obj/v/redraw.d
@@ -1,3 +1,3 @@
 obj/v/redraw.o obj-pic/v/redraw.o: src/v/redraw.c src/v/v.h src/mol/mol.h \
- src/mol/common.h src/v/pars.h src/v/evr.h src/math/vec3.h \
- src/math/vecn.h
+ src/mol/common.h src/v/pars.h src/v/evr.h src/math/3d.h \
+ src/math/matrix.h src/math/vecn.h
diff --git a/src/math/3d.h b/src/math/3d.h
index 04f9de9..d0fbe6b 100644
--- a/src/math/3d.h
+++ b/src/math/3d.h
@@ -2,10 +2,12 @@
 
 #define DEG2RAD (M_PI/180.0)
 
-void rotmx0_update(double mx[9], double mx1[9], double phi, int axis);
-void rot3d (int n, double * r, double m[9]);
+void rotmx0_update(double mx[9], double phi, int axis);
+void rot3d(int n, double * v, const double * r, const double m[9]);
+void rot3d_inplace(int n, double * r, const double m[9]);
 void rotmx (double * rot, double * u, double phi);
 void rot_around_perp(double rot[9], double dx, double dy, double factor);
+void mx3_lmultmx(const double A[9], double B[9]);
 
 int zmat2cart(int n, double r[3],
               double a[3], double b[3], double c[3],
diff --git a/src/math/matrix.c b/src/math/matrix.c
index 76adf84..d2c49a1 100644
--- a/src/math/matrix.c
+++ b/src/math/matrix.c
@@ -11,7 +11,7 @@ void mx_id(unsigned int n, double * a){
 }
 
 void mx_multmx(unsigned int m, unsigned int n, unsigned int q,
-               double * p, double * a, double * b){
+               double * p, const double * a, const double * b){
   /* a: m*n
    * b: n*q
    * p = ab: m*q
diff --git a/src/math/matrix.h b/src/math/matrix.h
index 3f71c0e..924ec96 100644
--- a/src/math/matrix.h
+++ b/src/math/matrix.h
@@ -15,7 +15,7 @@ static inline unsigned int mpos(unsigned int i, unsigned int j){
 #endif
 
 void     mx_id          (unsigned int n, double * a);
-void     mx_multmx      (unsigned int m, unsigned int n, unsigned int q, double * p, double * a, double * b);
+void     mx_multmx      (unsigned int m, unsigned int n, unsigned int q, double * p, const double * a, const double * b);
 int      mx_inv         (unsigned int n, unsigned int r, double * b, double * a, double eps);
 void     jacobi         (double * a, double * b, double * d, unsigned int n, double eps, unsigned int rot, FILE * f);
 
diff --git a/src/math/rot3d.c b/src/math/rot3d.c
index 0310504..39ed53b 100644
--- a/src/math/rot3d.c
+++ b/src/math/rot3d.c
@@ -1,8 +1,7 @@
 #include "3d.h"
 #include "vec3.h"
 
-void rotmx0_update(double mx[9], double mx1[9], double phi, int axis){
-
+void rotmx0_update(double mx[9], double phi, int axis){
   double c = cos(phi);
   double s = sin(phi);
   double ms[3][9]={
@@ -10,15 +9,18 @@ void rotmx0_update(double mx[9], double mx1[9], double phi, int axis){
     { c, 0.0, -s, 0.0, 1.0, 0.0, s, 0.0, c },
     { c, -s, 0.0, s, c, 0.0, 0.0, 0.0, 1.0 }
   };
-  veccp(9, mx1, ms[axis]);
+  mx3_lmultmx(ms[axis], mx);
+  return;
+}
 
-  double mx0[9];
-  veccp(9, mx0, mx);
-  mx_multmx(3,3,3, mx, mx1, mx0);
+void rot3d(int n, double * v, const double * r, const double m[9]){
+  for(int i=0; i<n; i++){
+    r3mx(v+3*i, r+3*i, m);
+  }
   return;
 }
 
-void rot3d(int n, double * r, double m[9]){
+void rot3d_inplace(int n, double * r, const double m[9]){
   for(int i=0; i<n; i++){
     double v[3];
     r3mx(v, r+3*i, m);
@@ -54,3 +56,11 @@ void rot_around_perp(double rot[9], double dx, double dy, double factor){
   rotmx(rot, u, factor*l);
   return;
 }
+
+void mx3_lmultmx(const double A[9], double B[9]){
+  // B := A * B
+  double t[9];
+  mx_multmx(3,3,3, t, A, B);
+  veccp(9, B, t);
+  return;
+}
diff --git a/src/math/vec3.h b/src/math/vec3.h
index 527189a..1c3759c 100644
--- a/src/math/vec3.h
+++ b/src/math/vec3.h
@@ -12,14 +12,14 @@ static inline void r3set (double * u, double s){
   return;
 }
 
-static inline double r3dot (double * u, double * v){
+static inline double r3dot (const double * u, const double * v){
   return (u[0]*v[0] + u[1]*v[1] + u[2]*v[2]);
 }
 
-static inline double r3d2 (double * u, double * v){
+static inline double r3d2 (const double * u, const double * v){
   return (u[0]-v[0])*(u[0]-v[0]) +
          (u[1]-v[1])*(u[1]-v[1]) +
-	 (u[2]-v[2])*(u[2]-v[2]);
+         (u[2]-v[2])*(u[2]-v[2]);
 }
 
 static inline void r3x (double * w, double * u, double * v){
@@ -29,13 +29,20 @@ static inline void r3x (double * w, double * u, double * v){
   return;
 }
 
-static inline void r3mx (double * u, double * v, double * m){
+static inline void r3mx (double * u, const double * v, const double * m){
   u[0] =  v[0]*m[0] + v[1]*m[1] + v[2]*m[2];
   u[1] =  v[0]*m[3] + v[1]*m[4] + v[2]*m[5];
   u[2] =  v[0]*m[6] + v[1]*m[7] + v[2]*m[8];
   return;
 }
 
+static inline void r3mxt (double * u, const double * v, const double * m){
+  u[0] =  v[0]*m[0] + v[1]*m[3] + v[2]*m[6];
+  u[1] =  v[0]*m[1] + v[1]*m[4] + v[2]*m[7];
+  u[2] =  v[0]*m[2] + v[1]*m[5] + v[2]*m[8];
+  return;
+}
+
 static inline void r3scal (double * u, double c){
   u[0] *= c;
   u[1] *= c;
@@ -43,28 +50,28 @@ static inline void r3scal (double * u, double c){
   return;
 }
 
-static inline void r3adds (double * u, double * v, double c){
+static inline void r3adds (double * u, const double * v, double c){
   u[0] += c*v[0];
   u[1] += c*v[1];
   u[2] += c*v[2];
   return;
 }
 
-static inline void r3add (double * u, double * v){
+static inline void r3add (double * u, const double * v){
   u[0] += v[0];
   u[1] += v[1];
   u[2] += v[2];
   return;
 }
 
-static inline void r3min (double * u, double * v){
+static inline void r3min (double * u, const double * v){
   u[0] -= v[0];
   u[1] -= v[1];
   u[2] -= v[2];
   return;
 }
 
-static inline void r3sum (double * w, double * u, double * v){
+static inline void r3sum (double * w, const double * u, const double * v){
   w[0] = u[0] + v[0];
   w[1] = u[1] + v[1];
   w[2] = u[2] + v[2];
@@ -78,28 +85,28 @@ static inline void r3diff (double * w, double * u, double * v){
   return;
 }
 
-static inline void r3cp (double * u, double * v){
+static inline void r3cp (double * u, const double * v){
   u[0] = v[0];
   u[1] = v[1];
   u[2] = v[2];
   return;
 }
 
-static inline void r3sums (double * w, double * u, double s, double * v, double t){
+static inline void r3sums (double * w, const double * u, double s, const double * v, double t){
   w[0] = u[0]*s + v[0]*t;
   w[1] = u[1]*s + v[1]*t;
   w[2] = u[2]*s + v[2]*t;
   return;
 }
 
-static inline void r3sums3 (double * w, double * u1, double s1, double * u2, double s2, double * u3, double s3){
+static inline void r3sums3 (double * w, const double * u1, double s1, const double * u2, double s2, const double * u3, double s3){
   w[0] = u1[0]*s1 + u2[0]*s2 + u3[0]*s3;
   w[1] = u1[1]*s1 + u2[1]*s2 + u3[1]*s3;
   w[2] = u1[2]*s1 + u2[2]*s2 + u3[2]*s3;
   return;
 }
 
-static inline void r3cpsc (double * u, double * v, double c){
+static inline void r3cpsc (double * u, const double * v, double c){
   u[0] = v[0]*c;
   u[1] = v[1]*c;
   u[2] = v[2]*c;
@@ -113,29 +120,29 @@ static inline void r3shift(double * u, double s){
   return;
 }
 
-static inline double r3sumcomp(double * u){
+static inline double r3sumcomp(const double * u){
   return u[0]+u[1]+u[2];
 }
 
-static inline double r3v(double * u){
+static inline double r3v(const double * u){
   return u[0]*u[1]*u[2];
 }
 
-static inline void r3divcomp(double * w, double * u, double * v){
+static inline void r3divcomp(double * w, const double * u, const double * v){
   w[0] = u[0] / v[0];
   w[1] = u[1] / v[1];
   w[2] = u[2] / v[2];
   return;
 }
 
-static inline void r3multcomp(double * w, double * u, double * v){
+static inline void r3multcomp(double * w, const double * u, const double * v){
   w[0] = u[0] * v[0];
   w[1] = u[1] * v[1];
   w[2] = u[2] * v[2];
   return;
 }
 
-static inline void r3outer(double * w, double * u, double * v){
+static inline void r3outer(double * w, const double * u, const double * v){
   /* w = u * v^T
    * w[i,j] = u[i]*v[j]
    */
@@ -151,7 +158,7 @@ static inline void r3outer(double * w, double * u, double * v){
   return;
 }
 
-static inline void r3outer6(double * w, double * u, double * v){
+static inline void r3outer6(double * w, const double * u, const double * v){
   w[0] = u[0] * v[0];
   w[1] = u[0] * v[1];
   w[2] = u[1] * v[1];
@@ -161,7 +168,7 @@ static inline void r3outer6(double * w, double * u, double * v){
   return;
 }
 
-static inline double mat3det(double * mat){
+static inline double mat3det(const double * mat){
   return mat[0]*mat[4]*mat[8] + mat[1]*mat[5]*mat[6] + mat[2]*mat[3]*mat[7] - mat[2]*mat[4]*mat[6] - mat[1]*mat[3]*mat[8] - mat[0]*mat[5]*mat[7];
 }
 
diff --git a/src/v/ac3_print.c b/src/v/ac3_print.c
index 470783e..64a9d1d 100644
--- a/src/v/ac3_print.c
+++ b/src/v/ac3_print.c
@@ -1,4 +1,5 @@
 #include "v.h"
+#include "vec3.h"
 
 void ac3_print(atcoord * ac, rendpars rend){
   PRINTOUT(stdout, "$molecule\ncart\n");
@@ -42,8 +43,7 @@ void ac3_print_xyz(atcoord * ac, rendpars rend){
   return;
 }
 
-void ac3_print2fig(atcoord * ac, rendpars rend, double * v){
-
+void ac3_print2fig(atcoord * ac, rendpars rend, double vert[9]){
   int n = ac->n;
   for(int i=0; i<n; i++){
     PRINTOUT(stdout, "atom %3d% 13.7lf% 13.7lf% 13.7lf\n", ac->q[i],
@@ -52,12 +52,12 @@ void ac3_print2fig(atcoord * ac, rendpars rend, double * v){
                  ac->r[i*3+2]);
   }
 
-  if(v){
+  if(vert){
     for(int i=0; i<8; i++){
+      double v[3];
+      r3mx(v, vert+3*i, rend.ac3rmx);
       PRINTOUT(stdout, "atom %3d% 13.7lf% 13.7lf% 13.7lf\n", 0,
-          rend.xy0[0] + v[i*3  ],
-          rend.xy0[1] + v[i*3+1],
-                   v[i*3+2]);
+          rend.xy0[0] + v[0], rend.xy0[1] + v[1], v[2]);
     }
   }
 
@@ -75,7 +75,7 @@ void ac3_print2fig(atcoord * ac, rendpars rend, double * v){
     }
   }
 
-  if(v){
+  if(vert){
 #define LINE(I,J)   PRINTOUT(stdout, "bond %3d %3d % 3d\n", (J)+n+1, (I)+n+1, -1)
     for(int i=0; i<8; i+=2){
       LINE(i,i+1); // || z-axis
diff --git a/src/v/ac3_read.c b/src/v/ac3_read.c
index daf57e9..18e081b 100644
--- a/src/v/ac3_read.c
+++ b/src/v/ac3_read.c
@@ -7,21 +7,24 @@ atcoord * atcoord_fill(mol * m0, int b, const geompars geom){
 
   size_t q_size = sizeof(int   ) * n;
   size_t r_size = sizeof(double) * n*3;
+  size_t r0_size = sizeof(double) * n*3;
   struct {size_t r_size; size_t a_size;} bonds = {0, 0};
   if(b!=-1){
     bonds.a_size = sizeof(int   ) * n*BONDS_MAX;
     bonds.r_size = sizeof(double) * n*BONDS_MAX;
   }
-  size_t size = sizeof(atcoord) + q_size + r_size + bonds.a_size + bonds.r_size;
+  size_t size = sizeof(atcoord) + q_size + r_size + r0_size + bonds.a_size + bonds.r_size;
   atcoord * m = calloc(size, 1);
 
   if(b==-1){
     m->r       = (double *) (m + 1);
-    m->q       = (int    *) MEM_END(m,r);
+    m->r0      = (double *) MEM_END(m,r);
+    m->q       = (int    *) MEM_END(m,r0);
   }
   else{
     m->r       = (double *) (m + 1);
-    m->bonds.r = (double *) MEM_END(m,r);
+    m->r0      = (double *) MEM_END(m,r);
+    m->bonds.r = (double *) MEM_END(m,r0);
     m->q       = (int    *) MEM_END(m,bonds.r);
     m->bonds.a = (int    *) MEM_END(m,q);
   }
@@ -30,20 +33,20 @@ atcoord * atcoord_fill(mol * m0, int b, const geompars geom){
   m->fname = m0->name;
   for(int i=0; i<n; i++){
     m->q[i] = m0->q[i];
-    r3cp(m->r+i*3, m0->r+i*3);
   }
+  veccp(n*3, m->r, m0->r);
 
   if(geom.bohr){
     vecscal(n*3, m->r, BA);
   }
   if(geom.inertia){
-    // should not change m0
+    // we should not change m0
     position(&((mol){.n=n, .q=m->q, .r=m->r}), NULL, 1);
   }
   if(geom.center){
     center_mol(n, m->r, geom.center==2 ? m->q : NULL);
   }
-
+  veccp(n*3, m->r0, m->r);
   return m;
 }
 
diff --git a/src/v/evr.c b/src/v/evr.c
index 9e98258..f502917 100644
--- a/src/v/evr.c
+++ b/src/v/evr.c
@@ -3,19 +3,16 @@
 #include "vec3.h"
 #include "3d.h"
 
-#define EPS_INV 1e-15
-
 void kp_readmore(object * ent, drawpars * dp){
   if(dp->task == AT3COORDS){
-    object * acs = ent;
     if(!dp->read.f){
       PRINT_ERR("cannot read from the file '%s'\n", dp->read.fname);
       return;
     }
     fseek(dp->read.f, 0, SEEK_CUR);
-    acs_readmore(dp->read, dp->rend.bonds, dp->geom, acs);
-    newmol_prep(acs, dp);
-    redraw_ac3 (acs, dp);
+    acs_readmore(dp->read, dp->rend.bonds, dp->geom, ent);
+    dp->N = ent->n;
+    redraw_ac3 (ent, dp);
   }
   return;
 }
@@ -28,31 +25,27 @@ void kp_readagain(object * ent, drawpars * dp){
       return;
     }
 
-    object * acs = ent;
-    for(int i=0; i<acs->n; i++){
-      free(acs->m[i]);
+    for(int i=0; i<ent->n; i++){
+      free(ent->m[i]);
     }
-    acs->n = dp->N = dp->n = 0;
-
-    acs_readmore(dp->read, dp->rend.bonds, dp->geom, acs);
-    newmol_prep(acs, dp);
-    redraw_ac3 (acs, dp);
+    ent->n = dp->N = dp->n = 0;
+    acs_readmore(dp->read, dp->rend.bonds, dp->geom, ent);
+    dp->N = ent->n;
+    redraw_ac3 (ent, dp);
   }
   return;
 }
 
 void kp_print(object * ent, drawpars * dp){
   if (dp->task == AT3COORDS){
-    atcoord * ac = ent->m[dp->n];
-    ac3_print(ac, dp->rend);
+    ac3_print(ent->m[dp->n], dp->rend);
   }
   return;
 }
 
 void kp_print_xyz(object * ent, drawpars * dp){
   if (dp->task == AT3COORDS){
-    atcoord * ac = ent->m[dp->n];
-    ac3_print_xyz(ac, dp->rend);
+    ac3_print_xyz(ent->m[dp->n], dp->rend);
   }
   return;
 }
@@ -69,14 +62,7 @@ void kp_printrot(object * ent __attribute__ ((unused)), drawpars * dp){
 
 void kp_print2fig(object * ent, drawpars * dp){
   if (dp->task == AT3COORDS){
-    double v[3*8];
-    if(dp->cell.vert == 1){
-      for(int i=0; i<8; i++){
-        r3mx (v+3*i, dp->cell.vertices+3*i, dp->rend.ac3rmx);
-      }
-    }
-    atcoord * ac = ent->m[dp->n];
-    ac3_print2fig(ac, dp->rend, dp->cell.vert==1?v:NULL);
+    ac3_print2fig(ent->m[dp->n], dp->rend, dp->cell.vert==1?dp->cell.vertices:NULL);
   }
   return;
 }
@@ -151,36 +137,23 @@ void kp_frame_dec(object * ent, drawpars * dp){
   return;
 }
 
-void rot_ent_pointer(object * ent, drawpars * dp, int dx, int dy, double speed){
-
-  double rotation_matrix[9];
-  rot_around_perp(rotation_matrix, (double)dx, (double)dy, speed);
-
-  double mx0[9];
-  veccp(9, mx0, dp->rend.ac3rmx);
-  mx_multmx(3,3,3, dp->rend.ac3rmx, rotation_matrix, mx0);
-  if(dp->task == AT3COORDS){
-    object * acs = ent;
-    for(int i=0; i<dp->N; i++){
-      rot3d(acs->m[i]->n, acs->m[i]->r, rotation_matrix);
-    }
+void rot_ent_pointer(object * ent __attribute__ ((unused)), drawpars * dp, int dx, int dy, double speed){
+  double mx[9];
+  rot_around_perp(mx, (double)dx, (double)dy, speed);
+  mx3_lmultmx(mx, dp->rend.ac3rmx);
+  for(int i=0; i<ent->n; i++){
+    ent->m[i]->rotated = 0;
   }
   return;
 }
 
-static void rot_ent(object * ent, drawpars * dp, int axis, double angle){
+static void rot_ent(object * ent __attribute__ ((unused)), drawpars * dp, int axis, double angle){
   if(dp->ui.modkey){
     angle *= STEP_MOD;
   }
-
-  double m[9];
-  rotmx0_update(dp->rend.ac3rmx, m, angle, axis);
-
-  if(dp->task == AT3COORDS){
-    object * acs = ent;
-    for(int i=0; i<dp->N; i++){
-      rot3d(acs->m[i]->n, acs->m[i]->r, m);
-    }
+  rotmx0_update(dp->rend.ac3rmx, angle, axis);
+  for(int i=0; i<ent->n; i++){
+    ent->m[i]->rotated = 0;
   }
   return;
 }
@@ -221,13 +194,9 @@ void kp_rotz_r(object * ent, drawpars * dp){
   return;
 }
 
-static void mol2cell(double r0[3], drawpars * dp){
-  double mat[9], r[3];
-  veccp(9, mat, dp->rend.ac3rmx);
-  r3cp(r, r0);
-  mx_inv (3, 1, r, mat, EPS_INV);
+static void mol2cell(double r[3], cellpars * cell){
   double rcell[3];
-  r3mx(rcell, r, dp->cell.rot_to_cell_basis);
+  r3mx(rcell, r, cell->rot_to_cell_basis);
   for(int i=0; i<3; i++){
     if(rcell[i]<-0.5){
       rcell[i] += 1.0;
@@ -236,21 +205,28 @@ static void mol2cell(double r0[3], drawpars * dp){
       rcell[i] -= 1.0;
     }
   }
-  r3mx(r, rcell, dp->cell.rot_to_lab_basis);
-  r3mx(r0, r, dp->rend.ac3rmx);
+  r3mx(r, rcell, cell->rot_to_lab_basis);
   return;
 }
 
 static void move_pbc(object * acs, drawpars * dp, int dir, double d){
-  for(int i=0; i<dp->N; i++){
-    for(int j=0; j<acs->m[i]->n; j++){
-      double * r = acs->m[i]->r+j*3;
-      r[dir] += d;
-      mol2cell(r, dp);
+
+  double dr[3], v[3] = {};
+  v[dir] = d;  // translation in the view basis
+  r3mxt(dr, v, dp->rend.ac3rmx);  // translation in the mol basis.
+                                  // not true if the initial "rotation" from CLI is not unitary, but ignore this
+  for(int i=0; i<acs->n; i++){
+    atcoord * m = acs->m[i];
+    for(int j=0; j<m->n; j++){
+      double * r = m->r0+j*3;
+      r3add(r, dr);
+      mol2cell(r, &dp->cell);
+      r3cp(m->r+j*3, r);
+      m->rotated = 0;
     }
     if(dp->rend.bonds>0){
-      acs->m[i]->bonds.flag = 0;
-      acs->m[i]->bonds.rl *= RL_MOVE_PBC_SCALE;
+      m->bonds.flag = 0;
+      m->bonds.rl *= RL_MOVE_PBC_SCALE;
     }
   }
   return;
diff --git a/src/v/evr.h b/src/v/evr.h
index 52302aa..c311015 100644
--- a/src/v/evr.h
+++ b/src/v/evr.h
@@ -1,3 +1,5 @@
+#include "3d.h"
+
 #define TMAX 20
 #define VIBR_AMP   0.1
 #define STEP_ROT  (M_PI/90.0)
@@ -7,6 +9,21 @@
 #define STEP_MOD   0.03125
 #define RL_MOVE_PBC_SCALE 0.9
 
+static inline void fill_bonds(atcoord * m, drawpars * dp){
+  if(dp->rend.bonds>0){
+    bonds_fill(dp->bond, m);
+  }
+  return;
+}
+
+static inline void rotate_mol(atcoord * m, drawpars * dp){
+  if(!m->rotated){
+    rot3d(m->n, m->r, m->r0, dp->rend.ac3rmx);
+    m->rotated = 1;
+  }
+  return;
+}
+
 void kp_readmore (object * ent, drawpars * dp);
 void kp_readagain(object * ent, drawpars * dp);
 void kp_print    (object * ent, drawpars * dp);
diff --git a/src/v/headless.c b/src/v/headless.c
index 485ad84..b4a07ee 100644
--- a/src/v/headless.c
+++ b/src/v/headless.c
@@ -48,10 +48,8 @@ void run_commands(FILE * f, char * command, drawpars * dp, object * ent){
 }
 
 int headless(drawpars * dp, object * ent){
-  atcoord * ac = ent->m[dp->n];
-  if(dp->rend.bonds>0){
-    bonds_fill(dp->bond, ac);
-  }
+  fill_bonds(ent->m[dp->n], dp);
+  rotate_mol(ent->m[dp->n], dp);
   run_commands(stdin, dp->ui.com, dp, ent);
   obj_free(ent);
   CLOSE0(dp->read.f);
diff --git a/src/v/load.c b/src/v/load.c
index e04d96f..fdbc58e 100644
--- a/src/v/load.c
+++ b/src/v/load.c
@@ -13,20 +13,6 @@ static inline void fill_nf(object * acs, int n0){
   return;
 }
 
-void newmol_prep(object * acs, drawpars * dp){
-  for(int j=dp->N; j<acs->n; j++){
-    atcoord * ac = acs->m[j];
-    for(int i=0; i<ac->n; i++){
-      double v[3];
-      r3mx(v, ac->r+3*i, dp->rend.ac3rmx);
-      r3cp(ac->r+3*i, v);
-    }
-  }
-  dp->N = acs->n;
-  return;
-}
-
-
 void acs_readmore(readpars read, int b, geompars geom, object * acs){
 
   // needed to reset nf
@@ -174,7 +160,7 @@ object * read_files(allpars * ap){
       }
     }
     dp->rend.scale = acs_scale(acs);
-    newmol_prep(acs, dp);
+    dp->N = acs->n;
     intcoord_check(INT_MAX, dp->anal.intcoord);
   }
   else{
@@ -212,7 +198,7 @@ object * acs_from_var(int n, mol * m, vibr_t vib, allpars * ap){
 
     fill_nf(ent, 0);
     dp->rend.scale = acs_scale(ent);
-    newmol_prep(ent, dp);
+    dp->N = ent->n;
 
     int natmax = 0;
     for(int i=0; i<n; i++){
diff --git a/src/v/redraw.c b/src/v/redraw.c
index cf7917e..b52ea52 100644
--- a/src/v/redraw.c
+++ b/src/v/redraw.c
@@ -1,7 +1,5 @@
 #include "v.h"
 #include "evr.h"
-#include "vec3.h"
-#include "vecn.h"
 
 static void ac3_text(atcoord * ac, drawpars * dp){
   char text[STRLEN], text2[STRLEN], text_inp[STRLEN];
@@ -50,28 +48,22 @@ void vibro_text(vibr_t * ms, drawpars * dp){
 }
 
 void redraw_ac3(object * ent, drawpars * dp){
-  atcoord * ac = ent->m[dp->n];
-
-  if(dp->rend.bonds>0){
-    bonds_fill(dp->bond, ac);
-  }
+  atcoord * m = ent->m[dp->n];
+  fill_bonds(m, dp);
+  rotate_mol(m, dp);
 
   clear_canv();
-  ac3_draw(ac, dp->rend);
-  ac3_text(ac, dp);
-
+  ac3_draw(m, dp->rend);
+  ac3_text(m, dp);
   if(dp->cell.vert == 1){
-    double v[24];
-    for(int i=0; i<8; i++){
-      r3mx (v+3*i, dp->cell.vertices+3*i, dp->rend.ac3rmx);
-    }
+    double v[8*3];
+    rot3d(8, v, dp->cell.vertices, dp->rend.ac3rmx);
     drawvertices(v, dp->rend);
   }
   else if(dp->cell.vert == 2){
     drawshell(dp->cell.vertices, dp->rend);
   }
   fill_canv();
-
   return;
 }
 
@@ -81,16 +73,9 @@ void redraw_vibro(object * ent, drawpars * dp){
   double  * r0 = ent->vib->r0;
   double  * dr = ent->vib->disp + dp->n * m->n*3;
 
-  if(dp->rend.bonds>0){
-    bonds_fill(dp->bond, m);
-  }
-
-  vecsums(m->n*3, m->r, r0, dr, sin( dp->anim.t * 2.0*M_PI/TMAX ) * VIBR_AMP*sqrt(m->n) );
-  for(int j=0; j<m->n; j++){
-    double v[3];
-    r3mx(v, m->r+3*j, dp->rend.ac3rmx);
-    r3cp(m->r+3*j, v);
-  }
+  fill_bonds(m, dp);
+  vecsums(m->n*3, m->r, r0, dr, VIBR_AMP*sqrt(m->n)*sin(dp->anim.t * 2.0*M_PI/TMAX));
+  rot3d_inplace(m->n, m->r, dp->rend.ac3rmx);
 
   clear_canv();
   ac3_draw(m, dp->rend);
diff --git a/src/v/v.h b/src/v/v.h
index 3bdc0a2..ec6ed7f 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -29,10 +29,13 @@ typedef struct {
 
 typedef struct {
   int      n;            // number of atoms
-  int    * q;            // charges of atoms
-  double * r;            // coordinates of atoms
+  int    * q;            // atom charges
+  double * r;            // atom coordinates (rotated)
   const char * fname;    // file name
 
+  int rotated;           // is `r` up-to-date
+  double * r0;           // atom coordinates (original)
+
   int nf[2];             // number of molecule in file, file size
   styp   sym;            // point group
   bondstr bonds;
@@ -55,7 +58,6 @@ typedef struct {
 
 
 // load.c
-void newmol_prep(object * acs, drawpars * dp);
 object * acs_from_var(int n, mol * m, vibr_t vib, allpars * ap);
 void acs_readmore  (readpars read, int b, geompars geom, object * acs);
 object * read_files(allpars * ap);

From fe4eeb5d607a4f7a95f0a143eb64b995b7b634ef Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Tue, 17 Mar 2026 16:19:50 +0100
Subject: [PATCH 08/10] Use atcoords.r0 added in b572575 instead of vibrstr.r0

---
 python/vmol/main.py |  8 +++-----
 src/v/load.c        | 43 ++++++++++++++++++++-----------------------
 src/v/mode_read.c   |  6 ++----
 src/v/redraw.c      |  3 +--
 src/v/v.h           |  1 -
 5 files changed, 26 insertions(+), 35 deletions(-)

diff --git a/python/vmol/main.py b/python/vmol/main.py
index 3f1ea56..974a800 100644
--- a/python/vmol/main.py
+++ b/python/vmol/main.py
@@ -47,7 +47,6 @@ class vibr_t(ctypes.Structure):  # noqa: N801
           double * ints;
           double * disp;
           double * mass;
-          double * r0;
           int      n;
         } vibr_t;
     ```
@@ -58,7 +57,6 @@ class vibr_t(ctypes.Structure):  # noqa: N801
             ("ints", c_double_p),
             ("disp", c_double_p),
             ("mass", c_double_p),
-            ("r0",   c_double_p),
             ("n",    c_int),
             )
 
@@ -399,13 +397,13 @@ def vib2struct(nat, vib=None):
 
     Returns:
         vibr_t: An instance of `vibr_t` with the fields set.  If missing, the optional fields are set to 0,
-            and the `r0` is set to NULL.  If the input dictionary is None, everything is set to 0/NULL.
+            If the input dictionary is None, everything is set to 0/NULL.
 
     Raises:
         TypeError: If mol is neither a dictionary nor None.
     """
     if vib is None:
-        return vibr_t(n=c_int(0), disp=None, freq=None, ints=None, mass=None, r0=None)
+        return vibr_t(n=c_int(0), disp=None, freq=None, ints=None, mass=None)
 
     if not isinstance(vib, dict):
         msg = f"vib must be None or a dictionary, but got {type(vib)}"
@@ -452,7 +450,7 @@ def check_array(key, required=True, shape=None, ndim=None, dtype=c_double):
     for key, val in vdict.items():
         vdict[key] = val.ctypes.data_as(c_double_p)
 
-    v = vibr_t(n=nvib, disp=vdict['disp'], freq=vdict['freq'], ints=vdict['ints'], mass=vdict['mass'], r0=None)
+    v = vibr_t(n=nvib, disp=vdict['disp'], freq=vdict['freq'], ints=vdict['ints'], mass=vdict['mass'])
     v._keepalive = (nvib, vdict['disp'], vdict['freq'], vdict['ints'], vdict['mass'])  # keep strong references
     return v
 
diff --git a/src/v/load.c b/src/v/load.c
index fdbc58e..d211db9 100644
--- a/src/v/load.c
+++ b/src/v/load.c
@@ -49,30 +49,32 @@ void acs_readmore(readpars read, int b, geompars geom, object * acs){
   return;
 }
 
-static object * mode_read_try(FILE * f, atcoord * ac){
+static object * mode_read_try(FILE * f, object * ent, drawpars * dp){
 
   long pos = ftell(f);
   rewind(f);
+  atcoord * m = ent->m[ent->n-1];
+  vibr_t * vib = mode_read(f, m->n);
 
-  int n = ac->n;
-  vibr_t * modes = mode_read(f, n);
-
-  if(modes){
-    object * ent = malloc(sizeof(object));
-    ent->Nmem  = ent->n = 1;
-    ent->m     = malloc(ent->Nmem*sizeof(atcoord *));
-    ent->m[0]  = ac;
-    ent->vib   = modes;
-    veccp(n*3, ent->vib->r0, ac->r);
-    return ent;
-  }
-  else{
+  if(!vib){
     fseek(f, pos, SEEK_SET);
     return NULL;
   }
+  else{
+    for(int i=0; i<ent->n-1; i++){
+      free(ent->m[i]);
+    }
+    ent->Nmem = ent->n = 1;
+    ent->m    = realloc(ent->m, sizeof(atcoord *));
+    ent->m[0] = m;
+    ent->vib  = vib;
+    dp->rend.scale = ac3_scale(m);
+    dp->N = vib->n;
+    return ent;
+  }
 }
 
-static FILE * acs_read_newfile(object * acs, char * fname, drawpars * dp){
+static FILE * acs_read_newfile(char * fname, object * acs, drawpars * dp){
   FILE * f;
   if(!strcmp(fname, "-")){
     f = stdin;
@@ -95,7 +97,7 @@ static object * ent_read(char * fname, drawpars * dp){
   acs->m = NULL;
   acs->vib = NULL;
 
-  FILE * f = acs_read_newfile(acs, fname, dp);
+  FILE * f = acs_read_newfile(fname, acs, dp);
   if(!f || !acs->n){
     free(acs);
     return NULL;
@@ -103,13 +105,9 @@ static object * ent_read(char * fname, drawpars * dp){
   dp->read.fname = fname;
 
   if(dp->task==UNKNOWN || dp->task==VIBRO){
-    object * vib = mode_read_try(f, acs->m[acs->n-1]);
+    object * vib = mode_read_try(f, acs, dp);
     if(vib){
-      acs->n--;
-      obj_free(acs);
       fclose(f);
-      dp->rend.scale = ac3_scale(vib->m[0]);
-      dp->N = vib->vib->n;
       dp->task = VIBRO;
       return vib;
     }
@@ -145,7 +143,7 @@ object * read_files(allpars * ap){
     object * acs = ent;
     int n0 = acs->n;
     for(i++; i<fn; i++){
-      FILE * f = acs_read_newfile(acs, flist[i], dp);
+      FILE * f = acs_read_newfile(flist[i], acs, dp);
       if(!f){
         PRINT_WARN("cannot read file '%s'\n", flist[i]);
       }
@@ -212,7 +210,6 @@ object * acs_from_var(int n, mol * m, vibr_t vib, allpars * ap){
     ent->m[0] = atcoord_fill(m+n-1, dp->rend.bonds, dp->geom);
     int nat = ent->m[0]->n;
     ent->vib = make_vibr_t(vib.n, nat);
-    veccp(nat*3,       ent->vib->r0, ent->m[0]->r);
     veccp(vib.n*nat*3, ent->vib->disp, vib.disp);
     veccp(vib.n,       ent->vib->freq, vib.freq);
     veccp(vib.n,       ent->vib->ints, vib.ints);
diff --git a/src/v/mode_read.c b/src/v/mode_read.c
index 6723b93..90e257e 100644
--- a/src/v/mode_read.c
+++ b/src/v/mode_read.c
@@ -9,15 +9,13 @@ vibr_t * make_vibr_t(int n_modes, int n_atoms){
   size_t freq_size = sizeof(double) * n_modes;
   size_t ints_size = sizeof(double) * n_modes;
   size_t mass_size = sizeof(double) * n_modes;
-  size_t r0_size   = sizeof(double) * n_atoms*3;
   size_t disp_size = sizeof(double) * n_modes*n_atoms*3;
-  size_t size = sizeof(vibr_t) + freq_size + r0_size + disp_size + ints_size + mass_size;
+  size_t size = sizeof(vibr_t) + freq_size + disp_size + ints_size + mass_size;
   vibr_t * v = malloc(size);
   v->n    = n_modes;
   v->freq = (double *) (v + 1);
   v->disp = (double *) MEM_END(v,freq);
-  v->r0   = (double *) MEM_END(v,disp);
-  v->ints = (double *) MEM_END(v,r0);
+  v->ints = (double *) MEM_END(v,disp);
   v->mass = (double *) MEM_END(v,ints);
   return v;
 }
diff --git a/src/v/redraw.c b/src/v/redraw.c
index b52ea52..0d4ff8e 100644
--- a/src/v/redraw.c
+++ b/src/v/redraw.c
@@ -70,11 +70,10 @@ void redraw_ac3(object * ent, drawpars * dp){
 void redraw_vibro(object * ent, drawpars * dp){
 
   atcoord * m  = ent->m[0];
-  double  * r0 = ent->vib->r0;
   double  * dr = ent->vib->disp + dp->n * m->n*3;
 
   fill_bonds(m, dp);
-  vecsums(m->n*3, m->r, r0, dr, VIBR_AMP*sqrt(m->n)*sin(dp->anim.t * 2.0*M_PI/TMAX));
+  vecsums(m->n*3, m->r, m->r0, dr, VIBR_AMP*sqrt(m->n)*sin(dp->anim.t * 2.0*M_PI/TMAX));
   rot3d_inplace(m->n, m->r, dp->rend.ac3rmx);
 
   clear_canv();
diff --git a/src/v/v.h b/src/v/v.h
index ec6ed7f..b70d78d 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -46,7 +46,6 @@ typedef struct {
   double * ints;  // intensities
   double * disp;  // displacements
   double * mass;  // masses
-  double * r0;    // atom configuration at the central point
   int      n;     // number of modes
 } vibr_t;
 

From de242c7dd52a51e94165c05782019bb12c16e88e Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Tue, 17 Mar 2026 23:36:21 +0100
Subject: [PATCH 09/10] Improve text in corner

---
 src/v/redraw.c | 58 +++++++++++++++++++++++++++++++++++++-------------
 src/v/v.h      |  2 +-
 src/v/x.c      | 14 +++++++-----
 src/v/x.h      |  1 +
 4 files changed, 54 insertions(+), 21 deletions(-)

diff --git a/src/v/redraw.c b/src/v/redraw.c
index 0d4ff8e..190b134 100644
--- a/src/v/redraw.c
+++ b/src/v/redraw.c
@@ -2,26 +2,54 @@
 #include "evr.h"
 
 static void ac3_text(atcoord * ac, drawpars * dp){
-  char text[STRLEN], text2[STRLEN], text_inp[STRLEN];
-  const char * lines[MAX_LINES] = {[0] = text, [1] = dp->read.fname};
-  const int lines_red[MAX_LINES] = {[2] = 1};
+  char text[32];
+  char text_fname[STRLEN];
+  char text_input[STRLEN];
+  char text_coord[STRLEN];
+  char text_point[32];
+
+  const char * lines[MAX_LINES] = {};
+  int lines_red[MAX_LINES] = {};
+
+  int il=0;
+  snprintf(text, sizeof(text), "%*d / %d", 1+(int)(log10(dp->N)), dp->n+1, dp->N);
+  lines[il++] = text;
 
-  int tp = snprintf(text, sizeof(text), "%*d / %d   r = %.1lf   rl = %.1lf", 1+(int)(log10(dp->N)), dp->n+1, dp->N, dp->rend.r, dp->bond.rl);
-  if( tp<sizeof(text)-1 && dp->anal.intcoord[0] ){
-    tp += snprintf(text+tp, sizeof(text)-tp, "  |  %d,%d,%d,%d,%d: %lf", dp->anal.intcoord[0], dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], dp->anal.intcoord[4], intcoord_calc(1, ac->n, dp->anal.intcoord, ac->r));
+  if(ac->nf[1]==dp->N){
+    lines[il++] = dp->read.fname;
   }
-  if( tp<sizeof(text)-1 && ac->sym[0] ){
-    tp += snprintf(text+tp, sizeof(text)-tp, "  |  PG: %s", ac->sym);
+  else{
+    snprintf(text_fname, sizeof(text_fname), "%s (%*d / %d)", ac->fname, 1+(int)(log10(ac->nf[1])), ac->nf[0]+1, ac->nf[1]);
+    lines[il++] = text_fname;
   }
 
-  if(ac->nf[1]!=dp->N){
-    snprintf(text2, sizeof(text2), "%s (%*d / %d)", ac->fname, 1+(int)(log10(ac->nf[1])), ac->nf[0]+1, ac->nf[1]);
-    lines[1] = text2;
+  if(dp->anal.intcoord[0]){
+    double z = intcoord_calc(1, ac->n, dp->anal.intcoord, ac->r);
+    switch(dp->anal.intcoord[0]){
+      case 1:
+        snprintf(text_coord, sizeof(text_coord), "bond %d-%d: %.3lf", dp->anal.intcoord[1], dp->anal.intcoord[2], z);
+        break;
+      case 2:
+        snprintf(text_coord, sizeof(text_coord), "angle %d-%d-%d: %.1lf", dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], z);
+        break;
+      case 3:
+        snprintf(text_coord, sizeof(text_coord), "dihedral %d-%d-%d-%d: % .1lf", dp->anal.intcoord[1], dp->anal.intcoord[2], dp->anal.intcoord[3], dp->anal.intcoord[4], z);
+        break;
+      default:
+        break;
+    }
+    lines[il++] = text_coord;
+  }
+
+  if(ac->sym[0]){
+    snprintf(text_point, sizeof(text_point), "point group: %s", ac->sym);
+    lines[il++] = text_point;
   }
 
   if(dp->ui.input==1){
-    snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
-    lines[2] = text_inp;
+    snprintf(text_input, sizeof(text_input), "JUMP TO >>> %s", dp->ui.input_text);
+    lines_red[il] = 1;
+    lines[il++] = text_input;
   }
 
   textincorner(lines, lines_red);
@@ -37,8 +65,8 @@ void vibro_text(vibr_t * ms, drawpars * dp){
   double fq = ms->freq[dp->n];
   char i = fq > 0.0 ? ' ' : 'i';
   snprintf(text, sizeof(text),
-           "%*d / %d   freq = %.1lf%c cm-1   int = %.1lf km/mole   mass = %.1lf amu  |  r = %.1lf   rl = %.1lf",
-           1+(int)(log10(ms->n)), dp->n+1, ms->n, fabs(fq), i, ms->ints[dp->n], ms->mass[dp->n], dp->rend.r, dp->bond.rl);
+           "%*d / %d   freq = %.1lf%c cm-1   int = %.1lf km/mole   mass = %.1lf amu",
+           1+(int)(log10(ms->n)), dp->n+1, ms->n, fabs(fq), i, ms->ints[dp->n], ms->mass[dp->n]);
   if(dp->ui.input==1){
     snprintf(text_inp, sizeof(text_inp), "JUMP TO >>> %s", dp->ui.input_text);
     lines[2] = text_inp;
diff --git a/src/v/v.h b/src/v/v.h
index b70d78d..05aecae 100644
--- a/src/v/v.h
+++ b/src/v/v.h
@@ -7,7 +7,7 @@
 #define POINTER_SPEED 2.0
 #define STRLEN 256
 #define BIGSTRLEN 4096
-#define MAX_LINES 3
+#define MAX_LINES 5
 
 #include "pars.h"
 
diff --git a/src/v/x.c b/src/v/x.c
index 984fd7b..d28333a 100644
--- a/src/v/x.c
+++ b/src/v/x.c
@@ -77,7 +77,7 @@ void init_x(const char * const capt, const colorscheme_t colorscheme){
   world.gc_black = XCreateGC (dis, world.win, 0, 0);
   XSetBackground (dis, world.gc_black, wp);
   XSetForeground (dis, world.gc_black, bp);
-  XSetLineAttributes(dis, world.gc_black, 2, 0, 0, 0);
+  XSetLineAttributes(dis, world.gc_black, LINE_WIDTH, LineSolid, 0, 0);
 
   world.gc_red = XCreateGC (dis, world.win, 0, 0);
   XSetBackground (dis, world.gc_red, wp);
@@ -86,12 +86,12 @@ void init_x(const char * const capt, const colorscheme_t colorscheme){
   world.gc_dot[0] = XCreateGC (dis, world.win, 0, 0);
   XSetBackground (dis, world.gc_black, wp);
   XSetForeground (dis, world.gc_black, bp);
-  XSetLineAttributes(dis, world.gc_dot[0], 2, 1, 0, 0);
+  XSetLineAttributes(dis, world.gc_dot[0], LINE_WIDTH, LineOnOffDash, 0, 0);
 
   world.gc_dot[1] = XCreateGC (dis, world.win, 0, 0);
   XSetBackground (dis, world.gc_black, wp);
   XSetForeground (dis, world.gc_black, bp);
-  XSetLineAttributes(dis, world.gc_dot[1], 0, 1, 0, 0);
+  XSetLineAttributes(dis, world.gc_dot[1], 0, LineOnOffDash, 0, 0);
 
   setcolors(colorscheme);
 
@@ -135,10 +135,14 @@ void init_font(char * fontname){
 }
 
 void textincorner(const char * const lines[MAX_LINES], const int red[MAX_LINES]){
-  int voffset = world.fontInfo ? (world.fontInfo->ascent + world.fontInfo->descent + 5) : 20;
+  XCharStruct _o;
+  int _d, font_ascent, font_descent;
+  XQueryTextExtents(world.dis, XGContextFromGC(world.gc_black), ".", 1, &_d, &font_ascent, &font_descent, &_o);
+  int voffset = font_ascent + font_descent + 5;
+  int hoffset = 10;
   for(int i=0; i<MAX_LINES; i++){
     if(lines[i]){
-      XDrawString(world.dis, world.canv, red[i] ? world.gc_red:world.gc_black, 10, voffset*(i+1), lines[i], strlen(lines[i]));
+      XDrawString(world.dis, world.canv, red[i] ? world.gc_red:world.gc_black, hoffset, voffset*(i+1), lines[i], strlen(lines[i]));
     }
   }
   return;
diff --git a/src/v/x.h b/src/v/x.h
index 60ef34b..17698c2 100644
--- a/src/v/x.h
+++ b/src/v/x.h
@@ -5,6 +5,7 @@
 #include <X11/keysymdef.h>
 
 #define NCOLORS 110
+#define LINE_WIDTH 2
 
 #define SCREEN_X(X)  (world.W/2 + world.size * rend.scale*(rend.xy0[0] + (X)))
 #define SCREEN_Y(Y)  (world.H/2 - world.size * rend.scale*(rend.xy0[1] + (Y)))

From f5e157c4776c91db9899aef122da109580aaf29d Mon Sep 17 00:00:00 2001
From: Ksenia <briling@mail.ru>
Date: Tue, 17 Mar 2026 23:45:59 +0100
Subject: [PATCH 10/10] Update changelog

---
 .github/CHANGELOG.md | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/.github/CHANGELOG.md b/.github/CHANGELOG.md
index 9e228b5..727a9cb 100644
--- a/.github/CHANGELOG.md
+++ b/.github/CHANGELOG.md
@@ -14,8 +14,9 @@
 * Remove case sensitivity of xyz file inputs (#9)
 * Add CLI option to disable centering of molecules (#14)
 * Disable default rotation wrt inertia axis for z-matrix input and add a CLI option to force it (#14)
-* Read molecules from the standard input
-* Show infrared intensities and mode masses
+* Read molecules from the standard input (#28)
+* Show infrared intensities and mode masses (#35)
+* Improve the text-in-corner look (de242c7, #36)
 * Improve data structures and code readability
 
 ### Fixes
@@ -24,6 +25,7 @@
 * Fix NaNs when compute dihedrals (#14)
 * Fix the "readagain" (`r`) and "readmore" (`tab`) bugs (#31)
 * Fix z-matrix input with unit=bohr (8554864)
+* Fix text blinking when playing animation (80cae88, #36)
 
 ### Coming in the next version:
 * extended xyz (#16, #17)