X-Git-Url: https://www.hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=moldyn.h;h=83414dd09fc045b99f07bca932c5c855a0d6d96b;hp=0078990599926a33780af3a34c85643760556316;hb=c40d54eb3e319b17b2f6174c4eddcfd6ee3a407b;hpb=97f4b6d802dc13e511f30adbaa25a7892289b0ff diff --git a/moldyn.h b/moldyn.h index 0078990..83414dd 100644 --- a/moldyn.h +++ b/moldyn.h @@ -64,8 +64,6 @@ typedef struct s_linkcell { int dnlc; /* direct neighbour lists counter */ } t_linkcell; -#include "visual/visual.h" - /* moldyn schedule structure */ typedef struct s_moldyn_schedule { int count; @@ -76,6 +74,13 @@ typedef struct s_moldyn_schedule { void *hook_params; } t_moldyn_schedule; +/* visualization structure */ +typedef struct s_visual { + int fd; /* rasmol script file descriptor */ + char fb[128]; /* basename of the save files */ + t_3dvec dim; /* dimensions of the simulation cell */ +} t_visual; + /* moldyn main structure */ typedef struct s_moldyn { int argc; /* number of arguments */ @@ -375,7 +380,6 @@ typedef struct s_moldyn { #define FCC 0x02 #define DIAMOND 0x04 - /* * * function prototypes @@ -469,4 +473,8 @@ int moldyn_bc_check(t_moldyn *moldyn); int get_line(int fd,char *line,int max); +int visual_init(t_visual *v,char *filebase); +int visual_atoms(t_visual *v,double time,t_atom *atom,int n); + #endif +