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display all 25 arg_v's , added amorph and cryst counter (global by now)
author
hackbard
<hackbard>
Mon, 21 Jul 2003 13:24:24 +0000
(13:24 +0000)
committer
hackbard
<hackbard>
Mon, 21 Jul 2003 13:24:24 +0000
(13:24 +0000)
nlsop.c
patch
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diff --git
a/nlsop.c
b/nlsop.c
index
d57cc04
..
3dafd1b
100644
(file)
--- a/
nlsop.c
+++ b/
nlsop.c
@@
-29,6
+29,10
@@
#define MAKE_AMORPH(N) *(N)|=AMORPH
#define MAKE_CRYST(N) *(N)&=~AMORPH
#define MAKE_AMORPH(N) *(N)|=AMORPH
#define MAKE_CRYST(N) *(N)&=~AMORPH
+/* test globals - get removed or included in my_info struct later */
+int amorph_count;
+int cryst_count;
+
int usage(void)
{
puts("usage:");
int usage(void)
{
puts("usage:");
@@
-84,14
+88,21
@@
int process_cell(d3_lattice *d3_l,u32 x,u32 y,u32 z,info *my_info)
}
}
p+=*conc*my_info->a_cp*URAND_MAX;
}
}
p+=*conc*my_info->a_cp*URAND_MAX;
- printf("debug: %f - %u\n",p,URAND_MAX);
if(!(*thiz&AMORPH))
{
if(!(*thiz&AMORPH))
{
- if(get_rand(URAND_MAX)<=p) MAKE_AMORPH(thiz);
+ if(get_rand(URAND_MAX)<=p)
+ {
+ MAKE_AMORPH(thiz);
+ amorph_count++;
+ }
} else
{
/* assume 1-p probability */
} else
{
/* assume 1-p probability */
- if(get_rand(URAND_MAX)>p) MAKE_CRYST(thiz);
+ if(get_rand(URAND_MAX)>p)
+ {
+ MAKE_CRYST(thiz);
+ cryst_count++;
+ }
}
return 1;
}
return 1;
@@
-465,6
+476,9
@@
int main(int argc,char **argv)
strcpy(r_file,"");
mode=0;
strcpy(r_file,"");
mode=0;
+ amorph_count=0;
+ cryst_count=0;
+
for(i=1;i<argc;i++)
{
if(argv[i][0]=='-')
for(i=1;i<argc;i++)
{
if(argv[i][0]=='-')
@@
-669,9
+683,9
@@
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(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: %d
",i
);
- sprintf(cc_txt,"total c: %d
",my_info.cc
);
- d3_lattice_draw(&d3_l,x,y,z,2
4
,arg_v,mode);
+ 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,2
5
,arg_v,mode);
}
#endif
if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
}
#endif
if(i%resave==0 && strcmp(s_file,"") && resave!=0 && i!=0)
@@
-712,12
+726,12
@@
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(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));
- s
trcpy(steps_txt,"step: end!"
);
- sprintf(cc_txt,"total c: %d
",my_info.cc
);
+ s
printf(steps_txt,"step: end! a_count: %d",amorph_count
);
+ sprintf(cc_txt,"total c: %d
c_count: %d",my_info.cc,cryst_count
);
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");
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,2
4
,arg_v,mode);
+ d3_lattice_draw(&d3_l,x,y,z,2
5
,arg_v,mode);
scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode);
}
scan_event(&d3_l,&x,&y,&z,&quit,&escape,&switchmode);
}