X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fnlsop.git;a=blobdiff_plain;f=nlsop.c;h=d08afda944f548ef49aa2fa1d420404260392697;hp=3dafd1bbc746a348f47235eb0bcbd13ae00fa120;hb=b6061ee8aa68091a0cea6e3bf9691e27a1d52d6c;hpb=f5c23d407ff5052877f38fa4f6ff4edf047b2a76

diff --git a/nlsop.c b/nlsop.c
index 3dafd1b..d08afda 100644
--- 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;
@@ -404,6 +447,7 @@ int get_c_ratio(double *c_ratio,char *pfile,info *my_info,d3_lattice *d3_l)
   }
  }
  *c_ratio=d/all;
+ close(p_fd);
 
  return 1;
 }
@@ -437,6 +481,7 @@ int main(int argc,char **argv)
  char diff_txt[MAX_TXT];
  char dr_ac_txt[MAX_TXT];
  char dr_cc_txt[MAX_TXT];
+ char dose_txt[MAX_TXT];
  char mode_txt[MAX_TXT];
  char *arg_v[MAX_ARGV];
 #endif
@@ -444,6 +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;
@@ -625,6 +671,7 @@ int main(int argc,char **argv)
 #ifdef USE_DFB_API
  strcpy(a_txt,"args:");
  sprintf(s_txt,"steps: %d",my_info.steps);
+ sprintf(dose_txt,"dose: %.2fe+17 C/cm²",my_info.steps*1.0/(d3_l.max_x*d3_l.max_y*CELL_LENGTH*CELL_LENGTH*1000));
  sprintf(r_txt,"pressure range: %d",my_info.range);
  sprintf(ap_txt,"a_ap: %.2f  b_ap: %.3f",my_info.a_ap,my_info.b_ap);
  sprintf(el_txt,"a_el: %.2f  b_el: %.3f",my_info.a_el,my_info.b_el);
@@ -649,10 +696,10 @@ int main(int argc,char **argv)
  arg_v[12]=zdiff_txt;
  arg_v[13]=NULL;
  arg_v[14]=a_txt;
- arg_v[15]=NULL;
- arg_v[16]=s_txt;
- arg_v[17]=r_txt;
- arg_v[18]=NULL;
+ arg_v[15]=s_txt;
+ arg_v[16]=dose_txt;
+ arg_v[17]=NULL;
+ arg_v[18]=r_txt;
  arg_v[19]=ap_txt;
  arg_v[20]=el_txt;
  arg_v[21]=cd_txt;
@@ -685,7 +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)
@@ -715,6 +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))
  {
@@ -726,12 +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);
  }