X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=visual%2Fvisual.c;h=3a8f7f8e2fcaeaab51f7dc03deeb2c1da88119f0;hb=c1f74e23422d004f7b9d2493cc747871c7ebfbae;hp=d03903bc9283c8fdefd818b51fe7bc6a2078474f;hpb=d9e7f195bbb219ad4c2de0e5f54d023ef9e669fb;p=physik%2Fposic.git

diff --git a/visual/visual.c b/visual/visual.c
index d03903b..3a8f7f8 100644
--- a/visual/visual.c
+++ b/visual/visual.c
@@ -46,9 +46,9 @@ int visual_init(t_visual *v,char *filebase) {
 
 	strncpy(v->fb,filebase,128);
 	memset(file,0,128+8);
-	sprintf(file,"%s.scr",v->fb);
+	sprintf(file,"%s/visualize.scr",v->fb);
 
-	v->fd=open(file,O_WRONLY|O_CREAT|O_TRUNC);
+	v->fd=open(file,O_WRONLY|O_CREAT|O_EXCL,S_IRUSR|S_IWUSR);
 	if(v->fd<0) {
 		perror("open visual fd");
 		return -1;
@@ -78,8 +78,9 @@ int visual_atoms(t_visual *v,double time,t_atom *atom,int n) {
 	dim.y=v->dim.y;
 	dim.z=v->dim.z;
 
-	sprintf(file,"%s-%07f.xyz",v->fb,time);
-	fd=open(file,O_WRONLY|O_CREAT|O_TRUNC);
+	//sprintf(file,"%s/visualize_%07.f.xyz",v->fb,time);
+	sprintf(file,"%s/povray_%07.f.in",v->fb,time);
+	fd=open(file,O_WRONLY|O_CREAT|O_TRUNC,S_IRUSR|S_IWUSR);
 	if(fd<0) {
 		perror("open visual save file fd");
 		return -1;
@@ -87,35 +88,68 @@ 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 270\n");
+	dprintf(v->fd,"spacefill 200\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");
 	dprintf(v->fd,"set boundbox on\n");
 	//dprintf(v->fd,"label\n");
-	sprintf(file,"%s-%.15f.ppm",v->fb,time);
+	sprintf(file,"%s/visualize_%07.f.ppm",v->fb,time);
 	dprintf(v->fd,"write ppm %s\n",file);
 	dprintf(v->fd,"zap\n");
 
 	/* write the actual data file */
-	dprintf(fd,"%d\n",(dim.x==0)?n:n+8);
-	dprintf(fd,"atoms at time %.15f\n",time);
+	//dprintf(fd,"%d\n",(dim.x==0)?n:n+8);
+	dprintf(fd,"# [C] %d\n",n);
+	dprintf(fd,"# [T] %07.f\n",time);
+	dprintf(fd,"# [L] <%f,%f,%f>\n",-1.0*dim.x/4.0,
+	                                1.5*dim.y,1.5*dim.z);
 	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);
+		dprintf(fd,"0.5 %f %f %f\n",atom[i].r.x,
+		                            atom[i].r.y,
+		                            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);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,-dim.y/2,-dim.z/2,
+		        dim.x/2,-dim.y/2,-dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,-dim.y/2,-dim.z/2,
+		        -dim.x/2,dim.y/2,-dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        dim.x/2,dim.y/2,-dim.z/2,
+		        dim.x/2,-dim.y/2,-dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,dim.y/2,-dim.z/2,
+		        dim.x/2,dim.y/2,-dim.z/2);
+
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,-dim.y/2,dim.z/2,
+		        dim.x/2,-dim.y/2,dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,-dim.y/2,dim.z/2,
+		        -dim.x/2,dim.y/2,dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        dim.x/2,dim.y/2,dim.z/2,
+		        dim.x/2,-dim.y/2,dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,dim.y/2,dim.z/2,
+		        dim.x/2,dim.y/2,dim.z/2);
+
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,-dim.y/2,dim.z/2,
+		        -dim.x/2,-dim.y/2,-dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        -dim.x/2,dim.y/2,dim.z/2,
+		        -dim.x/2,dim.y/2,-dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        dim.x/2,-dim.y/2,dim.z/2,
+		        dim.x/2,-dim.y/2,-dim.z/2);
+		dprintf(fd,"# [D] %f %f %f %f %f %f\n",
+		        dim.x/2,dim.y/2,dim.z/2,
+		        dim.x/2,dim.y/2,-dim.z/2);
 	}
+
 	close(fd);
 
 	return 0;