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incorporated visual functions to moldyn api
[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
0078990
..
83414dd
100644
(file)
--- a/
moldyn.h
+++ b/
moldyn.h
@@
-64,8
+64,6
@@
typedef struct s_linkcell {
int dnlc; /* direct neighbour lists counter */
} t_linkcell;
int dnlc; /* direct neighbour lists counter */
} t_linkcell;
-#include "visual/visual.h"
-
/* moldyn schedule structure */
typedef struct s_moldyn_schedule {
int count;
/* 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;
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 */
/* 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
#define FCC 0x02
#define DIAMOND 0x04
-
/*
*
* function prototypes
/*
*
* function prototypes
@@
-469,4
+473,8
@@
int moldyn_bc_check(t_moldyn *moldyn);
int get_line(int fd,char *line,int max);
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
#endif
+