implemented TEM like bmp's (1-3) + c concentration bmp's (4-6), added new run

[physik/nlsop.git] / nlsop.c

diff --git a/nlsop.c b/nlsop.c
index 0e06c77..2945c14 100644 (file)
--- a/nlsop.c
+++ b/nlsop.c
@@ -80,6 +80,7 @@ int usage(void)
  puts("-P <file> \t specify implantation profile file");
  puts("-N <file> \t specify nuclear energy loss profile file");
  printf("-H <value> \t collisions per ion in simulation window (default %d)\n",CPI);
+ puts("-m <value> \t specify c->a carbon saturation");
  
  return 1;
 }
@@ -150,7 +151,7 @@ int distrib_c(d3_lattice *d3_l,info *my_info,int step,double c_ratio,u32 rj_m,u3
    {
     offset=i+j*d3_l->max_x+k*d3_l->max_x*d3_l->max_y;
     /* case amorph: amorph <- cryst diffusion */
-    if(*(d3_l->status+offset)&AMORPH)
+    if(*(d3_l->status+offset)&AMORPH && *(d3_l->extra+offset)<my_info->c_sat)
     {
      for(c=-1;c<=1;c++)
      {
@@ -370,52 +371,27 @@ int write_ac_distr(d3_lattice *d3_l,int ac_distr)
  return 1;
 }
 
-int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
+int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
 {
- int fd,i,j,size=0,foo=0,end=0;
+ int fd,i,j,size=0,foo=0,k,sum;
  int width=0,height=0;
  char bmpfile[MAX_CHARS];
  char buf[128];
 
- if(((window==4)||(window==5))&&(d3_l->max_z<FFT_HEIGHT) )
- {
-  puts("error: z < FFT_HEIGHT!");
-  puts("not writing bmp file ...");
-  return -1;
- }
-
- if(window%3==1)
+ if(window==1)
  {
   sprintf(bmpfile,"x-z_%d.bmp",y);
   foo=3*d3_l->max_x;
-  if(window==1)
-  {
-   size=(foo+(4-foo%4))*d3_l->max_z;
-   height=d3_l->max_z;
-  }
-  else 
-  {
-   size=(foo+(4-foo%4))*FFT_HEIGHT;
-   end=d3_l->max_z-FFT_HEIGHT;
-   height=FFT_HEIGHT;
-  }
+  size=(foo+(4-foo%4))*d3_l->max_z;
+  height=d3_l->max_z;
   width=d3_l->max_x;
  }
- if(window%3==2)
+ if(window==2)
  {
   sprintf(bmpfile,"y-z_%d.bmp",x);
   foo=3*d3_l->max_y;
-  if(window==2)
-  {
-   size=(foo+(4-foo%4))*d3_l->max_z;
-   height=d3_l->max_z;
-  }
-  else 
-  {
-   size=(foo+(4-foo%4))*FFT_HEIGHT;
-   end=d3_l->max_z-FFT_HEIGHT;
-   height=FFT_HEIGHT;
-  }
+  size=(foo+(4-foo%4))*d3_l->max_z;
+  height=d3_l->max_z;
   width=d3_l->max_y;
  }
  if(window==3)
@@ -426,6 +402,30 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
   width=d3_l->max_x;
   height=d3_l->max_y;
  }
+ if(window==4)
+ {
+  sprintf(bmpfile,"x-z_cdistr_%d.bmp",y);
+  foo=3*d3_l->max_x;
+  size=(foo+(4-foo%4))*d3_l->max_z;
+  height=d3_l->max_z;
+  width=d3_l->max_x;
+ }
+ if(window==5)
+ {
+  sprintf(bmpfile,"y-z_cdistr_%d.bmp",x);
+  foo=3*d3_l->max_y;
+  size=(foo+(4-foo%4))*d3_l->max_z;
+  height=d3_l->max_z;
+  width=d3_l->max_y;
+ }
+ if(window==6)
+ {
+  sprintf(bmpfile,"x-y_cdistr_%d.bmp",z);
+  foo=3*d3_l->max_x;
+  size=(foo+(4-foo%4))*d3_l->max_y;
+  width=d3_l->max_x;
+  height=d3_l->max_y;
+ }
 
  if((fd=open(bmpfile,O_WRONLY|O_CREAT))<0)
  {
@@ -470,14 +470,17 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
   puts("failed writing bmp header");
   return -1;
  }
- if(window%3==1)
+ if(window==1)
  {
-  for(j=0;j<d3_l->max_z-end;j++)
+  for(j=0;j<d3_l->max_z;j++)
   {
    for(i=0;i<d3_l->max_x;i++)
    {
-    if(*(d3_l->status+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) memset(buf,0xff,3);
-    else memset(buf,0,3);
+    sum=0;
+    for(k=-2;k<=2;k++)
+     if(*(d3_l->status+i+(((y+k+d3_l->max_y)%d3_l->max_y)*d3_l->max_x)+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum+=0xff;
+    sum/=5;
+    memset(buf,(unsigned char)sum,3);
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -495,14 +498,17 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
    } 
   }
  }
- if(window%3==2)
+ if(window==2)
  {
-  for(j=0;j<d3_l->max_z-end;j++)
+  for(j=0;j<d3_l->max_z;j++)
   {
    for(i=0;i<d3_l->max_y;i++)
    {
-    if(*(d3_l->status+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) memset(buf,0xff,3);
-    else memset(buf,0,3);
+    sum=0;
+    for(k=-2;k<=2;k++)
+     if(*(d3_l->status+((x+k+d3_l->max_x)%d3_l->max_x)+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y)&RED) sum+=0xff;
+    sum/=5;
+    memset(buf,(unsigned char)sum,3);
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -545,6 +551,84 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z)
    }
   }
  }
+ if(window==4)
+ {
+  for(j=0;j<d3_l->max_z;j++)
+  {
+   for(i=0;i<d3_l->max_x;i++)
+   {
+    sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+    sum=sum*255/max;
+    memset(buf,(unsigned char)sum,3);
+    if(write(fd,buf,3)<3)
+    {
+     puts("failed writing rgb values to bmp file");
+     return-1;
+    }
+   }
+   if(foo%4)
+   {
+    memset(buf,0,4-foo%4);
+    if(write(fd,buf,4-foo%4)<4-foo%4)
+    {
+     puts("failed writing 4 byte ending");
+     return -1;
+    }
+   }
+  }
+ }
+ if(window==5)
+ { 
+  for(j=0;j<d3_l->max_z;j++) 
+  {                     
+   for(i=0;i<d3_l->max_x;i++)
+   {
+    sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+    sum=sum*255/max;
+    memset(buf,(unsigned char)sum,3);
+    if(write(fd,buf,3)<3)
+    {
+     puts("failed writing rgb values to bmp file");
+     return-1;  
+    }
+   }
+   if(foo%4)
+   {
+    memset(buf,0,4-foo%4);
+    if(write(fd,buf,4-foo%4)<4-foo%4)
+    {
+     puts("failed writing 4 byte ending");
+     return -1;
+    }
+   }
+  }
+ }
+ if(window==6)
+ {   
+  for(j=0;j<d3_l->max_z;j++)
+  {  
+   for(i=0;i<d3_l->max_x;i++)
+   { 
+    sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
+    sum=sum*255/max;
+    memset(buf,(unsigned char)sum,3);
+    if(write(fd,buf,3)<3)
+    {
+     puts("failed writing rgb values to bmp file");
+     return-1;
+    }
+   } 
+   if(foo%4)
+   { 
+    memset(buf,0,4-foo%4);
+    if(write(fd,buf,4-foo%4)<4-foo%4)
+    {
+     puts("failed writing 4 byte ending");
+     return -1;
+    }
+   } 
+  }
+ }
  close(fd);
 
  return 1;
@@ -829,6 +913,7 @@ int main(int argc,char **argv)
  my_info.dr_cc=DR_CC;
  my_info.diff_rate=DIFF_RATE;
  my_info.cpi=CPI;
+ my_info.c_sat=C_SAT;
  nowait=0;
  quit=0;
  escape=0;
@@ -942,6 +1027,9 @@ int main(int argc,char **argv)
     case 'H':
      my_info.cpi=atoi(argv[++i]);
      break;
+    case 'm':
+     my_info.c_sat=atoi(argv[++i]);
+     break;
     default:
      usage();
      return -1;
@@ -1149,7 +1237,7 @@ int main(int argc,char **argv)
   bmp=0;
   ac_distr=0;
   scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode,&bmp,&ac_distr);
-  if(bmp) write_bmp(&d3_l,bmp,x,y,z);
+  if(bmp) write_bmp(&d3_l,bmp,x,y,z,max_extra);
   if(ac_distr) write_ac_distr(&d3_l,ac_distr);
  }