fixed nlsop for packaging ..

[physik/nlsop.git] / nlsop.c

diff --git a/nlsop.c b/nlsop.c
index f030561..2222fca 100644 (file)
--- a/nlsop.c
+++ b/nlsop.c
@@ -283,7 +283,7 @@ 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);
+    *((unsigned int *)(d3_l->v_ptr)+x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)=(count*500/max);
    }
   }
  }
@@ -318,7 +318,6 @@ int write_ac_distr(d3_lattice *d3_l,int ac_distr)
  char file[32];
  int si_count;
  
- si_count=d3_l->max_x*d3_l->max_y*SI_PER_VOLUME;
  if(ac_distr==1) strcpy(file,"carbon_in_av.plot");
  if(ac_distr==2) strcpy(file,"carbon_in_cv.plot");
  if(ac_distr==3) strcpy(file,"carbon.plot");
@@ -333,23 +332,43 @@ int write_ac_distr(d3_lattice *d3_l,int ac_distr)
  for(z=0;z<d3_l->max_z;z++)
  {
   count=0;
+  si_count=0;
   for(x=0;x<d3_l->max_x;x++)
   {
    for(y=0;y<d3_l->max_y;y++)
    {
     offset=x+y*d3_l->max_x+z*d3_l->max_x*d3_l->max_y;
     if(ac_distr==1)
-     if(*(d3_l->status+offset)&AMORPH) count+=*(d3_l->extra+offset);
+     if(*(d3_l->status+offset)&AMORPH)
+     {
+      count+=*(d3_l->extra+offset);
+      si_count+=1;
+     }
     if(ac_distr==2)
-     if(!(*(d3_l->status+offset)&AMORPH)) count+=*(d3_l->extra+offset);
-    if(ac_distr==3) count+=*(d3_l->extra+offset);
+     if(!(*(d3_l->status+offset)&AMORPH))
+     {
+      count+=*(d3_l->extra+offset);
+      si_count+=1;
+     }
+    if(ac_distr==3)
+    {
+     count+=*(d3_l->extra+offset);
+     si_count+=1;
+    }
     if(ac_distr==4)
      if(*(d3_l->status+offset)&AMORPH) count+=1;
    }
   }
+  si_count*=SI_PER_VOLUME;
   if(ac_distr==4) dprintf(fd,"%d %d\n",z*CELL_LENGTH,count);
 #ifdef ATPROZ
-  else dprintf(fd,"%d %f\n",z*CELL_LENGTH,100.0*count/si_count);
+  else
+  {
+   if(si_count)
+    dprintf(fd,"%d %f\n",z*CELL_LENGTH,100.0*count/(si_count+count));
+   else
+    dprintf(fd,"%d 0\n",z*CELL_LENGTH);
+  }
 #else
   else dprintf(fd,"%d %d\n",z*CELL_LENGTH,count/(d3_l->max_x*d3_l->max_y));
 #endif
@@ -416,7 +435,7 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
  }
  if(window==7)
  {
-  sprintf(bmpfile,"x-z_a_cdistr_%d.bmp",y);
+  sprintf(bmpfile,"x-z_pressure_%d.bmp",y);
   foo=3*d3_l->max_x;
   size=(foo+(4-foo%4))*d3_l->max_z;
   height=d3_l->max_z;
@@ -424,7 +443,7 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
  }
  if(window==8)
  {
-  sprintf(bmpfile,"y-z_a_cdistr_%d.bmp",x);
+  sprintf(bmpfile,"y-z_pressure_%d.bmp",x);
   foo=3*d3_l->max_y;
   size=(foo+(4-foo%4))*d3_l->max_z;
   height=d3_l->max_z;
@@ -432,7 +451,7 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
  }
  if(window==9)
  {
-  sprintf(bmpfile,"x-y_a_cdistr_%d.bmp",z);
+  sprintf(bmpfile,"x-y_pressure_%d.bmp",z);
   foo=3*d3_l->max_x;
   size=(foo+(4-foo%4))*d3_l->max_y;
   height=d3_l->max_y;
@@ -593,8 +612,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
    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);
+    sum=sum*500/max;
+    buf[2]=0;
+    if(sum<=255) {
+      buf[1]=0;
+      buf[0]=sum;
+    } else {
+      buf[1]=(sum-255);
+      buf[0]=0xff;
+    }
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -619,8 +645,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
    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);
+    sum=sum*500/max;
+    buf[2]=0;
+    if(sum<=255) {
+      buf[1]=0;
+      buf[0]=sum;
+    } else {
+      buf[1]=(sum-255);
+      buf[0]=0xff;
+    }
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -645,8 +678,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
    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);
+    sum=sum*500/max;
+    buf[2]=0;
+    if(sum<=255) {
+      buf[1]=0;
+      buf[0]=sum;
+    } else {
+      buf[1]=(sum-255);
+      buf[0]=0xff;
+    }
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -670,10 +710,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
   {
    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) sum=*(d3_l->extra+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
-    else sum=0;
-    sum=sum*255/max;
-    memset(buf,(unsigned char)sum,3);
+    sum=*((unsigned int *)(d3_l->v_ptr)+i+y*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+      buf[0]=0;
+    if(sum<=255) {
+      buf[1]=0;
+      buf[2]=sum;
+    } else {
+      buf[1]=(sum-255);
+      buf[2]=0xff;
+    }
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -697,10 +742,15 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
   {                     
    for(i=0;i<d3_l->max_x;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) sum=*(d3_l->extra+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
-    else sum=0;
-    sum=sum*255/max;
-    memset(buf,(unsigned char)sum,3);
+    sum=*((unsigned int *)(d3_l->v_ptr)+x+i*d3_l->max_x+(d3_l->max_z-j-1)*d3_l->max_x*d3_l->max_y);
+      buf[0]=0;
+    if(sum<=255) {
+      buf[1]=0;
+      buf[2]=sum;
+    } else {
+      buf[1]=(sum-255);
+      buf[2]=0xff;
+    }
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -724,10 +774,16 @@ int write_bmp(d3_lattice *d3_l,int window,u32 x,u32 y,u32 z,int max)
   {  
    for(i=0;i<d3_l->max_x;i++)
    {
-    if(*(d3_l->status+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y)&RED) sum=*(d3_l->extra+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
-    else sum=0;
-    sum=sum*255/max;
-    memset(buf,(unsigned char)sum,3);
+    sum=*((unsigned int *)(d3_l->v_ptr)+i+(d3_l->max_y-j-1)*d3_l->max_x+z*d3_l->max_x*d3_l->max_y);
+      buf[0]=0;
+    if(sum<=255) {
+      buf[1]=0;
+      buf[2]=sum;
+    } else {
+      buf[1]=(sum-255);
+      buf[2]=0xff;
+    }
+    printf("sum = %d => r: %02x g: %02x b: %02x\n",sum,buf[2],buf[1],buf[0]);
     if(write(fd,buf,3)<3)
     {
      puts("failed writing rgb values to bmp file");
@@ -1140,7 +1196,7 @@ int main(int argc,char **argv)
  d3_lattice d3_l;
  info my_info;
  unsigned char mode;
- //double c_ratio;
+ double c_ratio;
 #ifdef USE_DFB_API
  int max_extra;
 #endif
@@ -1148,6 +1204,7 @@ int main(int argc,char **argv)
  u32 *n_e_loss;
  u32 ne_max,ip_max;
  u32 nel_z;
+ unsigned char do_sputter;
 
  d3_l.max_x=_X;
  d3_l.max_y=_Y;
@@ -1182,6 +1239,7 @@ int main(int argc,char **argv)
  sai=0;
  sacl=0;
  eacl=0;
+ do_sputter=1;
 
 #ifdef MORE_PRINTF
  printf("reading argv ...");
@@ -1407,14 +1465,14 @@ int main(int argc,char **argv)
   if(c_profile[d3_l.max_z-1]!=0)
   {
    printf("max_z (%d) too small - sputtering not possible\n",d3_l.max_z);
-   return -1;
+   do_sputter=0;
   }
   /* calculate ratio of c_simwindow / c_total */
-  //if(get_c_ratio(&c_ratio,p_file,&my_info,&d3_l)!=1)
-  //{
-  // puts("failed calculating ratio");
-  // return -1;
-  //}
+  if(!do_sputter)
+  {
+   get_c_ratio(&c_ratio,p_file,&my_info,&d3_l);
+   printf("calculated c ratio: %f\n",c_ratio);
+  }
 
   /* sputtering realy possible ?*/
   if(n_e_loss[d3_l.max_z-1]!=0)
@@ -1432,6 +1490,9 @@ int main(int argc,char **argv)
 #endif
 #ifdef DEBUG_NORM
   printf("%d\n",get_rand(d3_l.max_z));
+#endif
+#ifdef DEBUG_LINEAR
+  printf("%d\n",get_rand_lgp(d3_l.max_z,1,0));
 #endif
  if(i==10000000) return 1;
  i++;
@@ -1482,7 +1543,7 @@ int main(int argc,char **argv)
 #endif
    }
    i++;
-   if(i%my_info.s_rate==0) sputter(&d3_l);
+   if((do_sputter)&(i%my_info.s_rate==0)) sputter(&d3_l);
   }
  }
 
@@ -1495,7 +1556,7 @@ int main(int argc,char **argv)
 #ifdef USE_DFB_API
  /* allocating buffer for pressure values */
  printf("allocating buffer for preassure values ...");
- if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned char)))==NULL)
+ if((d3_l.v_ptr=malloc(d3_l.max_x*d3_l.max_y*d3_l.max_z*sizeof(unsigned int)))==NULL)
  {
   puts("cannot allocate buffer for pressure values");
   return -1;