X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=visual%2Fvisual.c;h=38ff0b0e09f321426d26ecc5c648fbf06e63c3c6;hb=45b27e01673a6cc5bebecb49c51d7f587917483e;hp=9d0f5a2ca85b76092d0931292dc2388a1e8e0b31;hpb=83775c491117faa149281d0302fc8b8064d6b080;p=physik%2Fposic.git

diff --git a/visual/visual.c b/visual/visual.c
index 9d0f5a2..38ff0b0 100644
--- a/visual/visual.c
+++ b/visual/visual.c
@@ -31,6 +31,8 @@ int visual_init(t_visual *v,char *filebase) {
 		return -1;
 	}
 
+	memset(&(v->dim),0,sizeof(t_3dvec));
+
 	return 0;
 }
 
@@ -45,9 +47,14 @@ int visual_atoms(t_visual *v,double time,t_atom *atom,int n) {
 
 	int i,fd;
  	char file[128+64];
+	t_3dvec dim;
+
+	dim.x=10e9*v->dim.x;
+	dim.y=10e9*v->dim.y;
+	dim.z=10e9*v->dim.z;
 
 	char pse[19][4]={
-		"foo",
+		"*",
 		"H",
 		"He",
 		"Li",
@@ -77,9 +84,9 @@ int visual_atoms(t_visual *v,double time,t_atom *atom,int n) {
 
 	/* script file update */
 	dprintf(v->fd,"load xyz %s\n",file);
-	dprintf(v->fd,"spacefill 200\n");
-	//dprintf(v->fd,"rotate x 100\n");
-	//dprintf(v->fd,"rotate y 10\n");
+	dprintf(v->fd,"spacefill 300\n");
+	dprintf(v->fd,"rotate x 100\n");
+	dprintf(v->fd,"rotate y 10\n");
 	dprintf(v->fd,"set ambient 20\n");
 	dprintf(v->fd,"set specular on\n");
 	sprintf(file,"%s-%.15f.ppm",v->fb,time);
@@ -87,11 +94,23 @@ int visual_atoms(t_visual *v,double time,t_atom *atom,int n) {
 	dprintf(v->fd,"zap\n");
 
 	/* write the actual data file */
-	dprintf(fd,"%d\n",n);
+	dprintf(fd,"%d\n",(dim.x==0)?n:n+8);
 	dprintf(fd,"atoms at time %.15f\n",time);
 	for(i=0;i<n;i++)
 		dprintf(fd,"%s %f %f %f\n",pse[atom[i].element],
-		                           atom[i].r.x,atom[i].r.y,atom[i].r.z);
+		                           10e9*atom[i].r.x,
+		                           10e9*atom[i].r.y,
+		                           10e9*atom[i].r.z);
+	if(dim.x) {
+		dprintf(fd,"%s %f %f %f\n",pse[0],dim.x/2,dim.y/2,dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],-dim.x/2,dim.y/2,dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],dim.x/2,-dim.y/2,dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],dim.x/2,dim.y/2,-dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],-dim.x/2,-dim.y/2,dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],dim.x/2,-dim.y/2,-dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],-dim.x/2,dim.y/2,-dim.z/2);
+		dprintf(fd,"%s %f %f %f\n",pse[0],-dim.x/2,-dim.y/2,-dim.z/2);
+	}
 	close(fd);
 
 	return 0;