X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=moldyn.h;h=83414dd09fc045b99f07bca932c5c855a0d6d96b;hb=c40d54eb3e319b17b2f6174c4eddcfd6ee3a407b;hp=36e701ea0877d88118d4d6441d963b5c1cbac803;hpb=684bf7c398cdfa98549b0c7a1fa37e6dc5b35bea;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index 36e701e..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
@@ -417,6 +421,7 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
                    u8 attr,u8 brand,int a,int b,int c,t_3dvec *origin);
 int add_atom(t_moldyn *moldyn,int element,double mass,u8 brand,u8 attr,
              t_3dvec *r,t_3dvec *v);
+int del_atom(t_moldyn *moldyn,int tag);
 int cubic_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin);
 int fcc_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin);
 int diamond_init(int a,int b,int c,double lc,t_atom *atom,t_3dvec *origin);
@@ -468,4 +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
+