max display values get calculated

diff --git a/dfbapi.c b/dfbapi.c
index 3dfecda1460fe8c68ab1caf00f6ba9bd871acbc0..b74b795eedbb890e01b4720728ecf91d70bb0cee 100644 (file)
--- a/dfbapi.c
+++ b/dfbapi.c
@@ -121,7 +121,7 @@ int dx_lattice_get_color(unsigned char *status,unsigned char *r,unsigned char *g
  return 1;
 }
 
-int d2_lattice_draw(d2_lattice *d2_l,int x,int y,int arg_c,char **arg_v,unsigned char mode)
+int d2_lattice_draw(d2_lattice *d2_l,int x,int y,int arg_c,char **arg_v,unsigned char mode,int max_extra)
 {
  int x_c,y_c;
  int i;
@@ -137,7 +137,7 @@ int d2_lattice_draw(d2_lattice *d2_l,int x,int y,int arg_c,char **arg_v,unsigned
    if(!mode) dx_lattice_get_color((*d2_l).status+x_c+y_c*d2_l->max_x,&r,&g,&b,mode);
    if(mode==1)
    {
-    foobar=(unsigned char)(*(d2_l->extra+x_c+y_c*d2_l->max_x)*255/MAX_EXTRA);
+    foobar=(unsigned char)(*(d2_l->extra+x_c+y_c*d2_l->max_x)*255/max_extra);
     dx_lattice_get_color(&foobar,&r,&g,&b,mode);
    }
    if(mode==2)
@@ -184,7 +184,7 @@ int d2_lattice_draw(d2_lattice *d2_l,int x,int y,int arg_c,char **arg_v,unsigned
  return 1;
 }
 
-int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,unsigned char mode)
+int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,unsigned char mode,int max_extra)
 {
  int x_c,y_c,z_c;
  int i;
@@ -201,7 +201,7 @@ int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,un
    if(!mode) dx_lattice_get_color((*d3_l).status+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y,&r,&g,&b,mode);
    if(mode==1)
    {
-    foobar=(unsigned char)(*(d3_l->extra+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y)*255/MAX_EXTRA);
+    foobar=(unsigned char)(*(d3_l->extra+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y)*255/max_extra);
     dx_lattice_get_color(&foobar,&r,&g,&b,mode);
    }
    if(mode==2)
@@ -231,7 +231,7 @@ int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,un
    if(!mode) dx_lattice_get_color((*d3_l).status+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y,&r,&g,&b,mode);
    if(mode==1)
    {
-    foobar=(unsigned char)(*(d3_l->extra+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y)*255/MAX_EXTRA);
+    foobar=(unsigned char)(*(d3_l->extra+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y)*255/max_extra);
     dx_lattice_get_color(&foobar,&r,&g,&b,mode);
    }
    if(mode==2)
@@ -261,7 +261,7 @@ int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,un
    if(!mode) dx_lattice_get_color((*d3_l).status+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y,&r,&g,&b,mode);
    if(mode==1)
    {
-    foobar=(unsigned char)(*(d3_l->extra+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y)*255/MAX_EXTRA);
+    foobar=(unsigned char)(*(d3_l->extra+x_c+y_c*d3_l->max_x+z_c*d3_l->max_x*d3_l->max_y)*255/max_extra);
     dx_lattice_get_color(&foobar,&r,&g,&b,mode);
    }
    if(mode==2)

diff --git a/dfbapi.h b/dfbapi.h
index e5333cb037553b7f0f6ab06fe2754467d22981fa..7af06ee230896849b655fc9d3afd316f73129d3f 100644 (file)
--- a/dfbapi.h
+++ b/dfbapi.h
@@ -17,7 +17,6 @@
 #define X_GAP 5
 #define Y_GAP X_GAP
 #define RED 1
-#define MAX_EXTRA 20
 
 typedef struct __d2_lattice
 {
@@ -66,10 +65,10 @@ typedef struct __d3_lattice
 /* function prototypes */
 int d2_lattice_init(int *argc,char **argv,d2_lattice *d2_l);
 int d2_lattice_release(d2_lattice *d2_l);
-int d2_lattice_draw(d2_lattice *d2_l,int x,int y,int arg_c,char **arg_v,unsigned char mode);
+int d2_lattice_draw(d2_lattice *d2_l,int x,int y,int arg_c,char **arg_v,unsigned char mode,int max_extra);
 int d3_lattice_init(int *argc,char **argv,d3_lattice *d3_l);
 int d3_lattice_release(d3_lattice *d3_l);
-int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,unsigned char mode);
+int d3_lattice_draw(d3_lattice *d3_l,int x,int y,int z,int arg_c,char **arg_v,unsigned char mode,int max_extra);
 int d2_event_init(d2_lattice *d2_l);
 int d3_event_init(d3_lattice *d3_l);
 int scan_event(d3_lattice *d3_l,int *x,int *y,int *z,int *q,int *esc,int *switchmode);

diff --git a/nlsop.c b/nlsop.c
index 712702bd2043b1ce3fdb8a6d3f89b758355f17cb..d08afda944f548ef49aa2fa1d420404260392697 100644 (file)
--- a/nlsop.c
+++ b/nlsop.c
@@ -233,7 +233,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio)
 int calc_pressure(d3_lattice *d3_l,int range)
 {
  int i,j,off;
- double count;
+ double count,max=0;
  int x,y,z;
 
  for(x=0;x<d3_l->max_x;x++)
@@ -254,7 +254,30 @@ int calc_pressure(d3_lattice *d3_l,int range)
       }
      }
     }
-    *(unsigned char *)(d3_l->v_ptr+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(unsigned char)(count*255/MAX_VPTR);
+    if(count>max) max=count;
+   }
+  }
+ }
+
+ for(x=0;x<d3_l->max_x;x++)
+ {
+  for(y=0;y<d3_l->max_y;y++)
+  {
+   for(z=0;z<d3_l->max_z;z++)
+   {
+    count=0;
+    for(i=-range;i<=range;i++)
+    {
+     for(j=-range;j<=range;j++)
+     {
+      if(i!=0 && j!=0)
+      {
+       off=((x+d3_l->max_x+i)%d3_l->max_x)+((y+d3_l->max_y+j)%d3_l->max_x)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
+       if(*(d3_l->status+off)&AMORPH) count+=((double)*(d3_l->extra+off))/(i*i+j*j);
+      }
+     }
+    }
+    *(unsigned char *)(d3_l->v_ptr+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(unsigned char)(count*255/max);
    }
   }
  }
@@ -262,6 +285,26 @@ int calc_pressure(d3_lattice *d3_l,int range)
  return 1;
 }
 
+int calc_max_extra(d3_lattice *d3_l)
+{
+ int x,y,z;
+ int off,max=0;
+
+ for(x=0;x<d3_l->max_x;x++)
+ {
+  for(y=0;y<d3_l->max_y;y++)
+  {
+   for(z=0;z<d3_l->max_z;z++)
+   {
+    off=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
+    if(*(d3_l->extra+off)>max) max=*(d3_l->extra+off);
+   }
+  }
+ }
+
+ return max;
+}
+
 int save_to_file(char *sf,d3_lattice *d3_l,info *my_inf)
 {
  int sf_fd,c;
@@ -446,6 +489,7 @@ int main(int argc,char **argv)
  info my_info;
  unsigned char mode;
  double c_ratio;
+ int max_extra;
 
  d3_l.max_x=X;
  d3_l.max_y=Y;
@@ -688,7 +732,7 @@ int main(int argc,char **argv)
     sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
     sprintf(steps_txt,"step: %d  a_count: %d",i,amorph_count);
     sprintf(cc_txt,"total c: %d  c_count: %d",my_info.cc,cryst_count);
-    d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode);
+    d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,0);
    }
 #endif
    if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
@@ -718,6 +762,7 @@ int main(int argc,char **argv)
  }
  /* calc values */
  calc_pressure(&d3_l,my_info.range);
+ max_extra=calc_max_extra(&d3_l);
 
  while((quit==0) && (escape==0) && (nowait==0))
  {
@@ -729,12 +774,12 @@ int main(int argc,char **argv)
   sprintf(xyz_txt,"x: %d  y: %d  z: %d",x+1,y+1,z+1);
   sprintf(status_txt,"status: %c",(*(d3_l.status+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y)&AMORPH)?'a':'c');
   sprintf(conc_txt,"conc: %d",*(d3_l.extra+x+y*d3_l.max_x+z*d3_l.max_x*d3_l.max_y));
-  sprintf(steps_txt,"step: end!  a_count: %d",amorph_count);
-  sprintf(cc_txt,"total c: %d  c_count: %d",my_info.cc,cryst_count);
+  sprintf(steps_txt,"step: end");
+  sprintf(cc_txt,"total c: %d",my_info.cc);
   if(switchmode==0) strcpy(mode_txt,"view: a/c mode");
   if(switchmode==1) strcpy(mode_txt,"view: c conc mode");
   if(switchmode==2) strcpy(mode_txt,"view: a pressure mode");
-  d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode);
+  d3_lattice_draw(&d3_l,x,y,z,25,arg_v,mode,max_extra);
   scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode);
  }
 

diff --git a/nlsop.h b/nlsop.h
index 9fec8cb7de87227617aa5d8efab53b2bae417340..a7397315c4d6aa7598c0ca9f33012be846973b09 100644 (file)
--- a/nlsop.h
+++ b/nlsop.h
@@ -49,8 +49,6 @@ typedef struct __info
 #define MAX_TXT 32
 #define MAX_ARGV 27
 
-#define MAX_VPTR 50
-
 #define IMP_PROFILE "imp-profile.txt"
 #define CELL_LENGTH 3 /* nm */