height="480"
radius="0.6"
x0="-0.6"; y0="-0.6"; z0="-0.6";
-x1="+0.6"; y1="+0.6"; z1="+0.6";
+x1="0.6"; y1="0.6"; z1="0.6";
cx=""; cy=""; cz="";
lx="0"; ly="-100"; lz="100";
ortographic=""
bx1=""; by1=""; bz1="";
bcr="";
clx="0"; cly="0"; clz="0";
+extra=0
# parse argv
bx1=$5; by1=$6; bz1=$7; shift 7;;
-B) bcr=$2; shift 2;;
-C) lc=$2; shift 2;;
+ -e) extra=1; shift 1;;
*)
echo "options:"
echo "########"
[ "$lc" = "c" ] && lc=3.566
offset=`echo 0.125 \* $lc | bc`
+#offset=0.0
x0=`echo $x0 \* $lc + $offset | bc`
y0=`echo $y0 \* $lc + $offset | bc`
POVRAY="povray -W${width} -H${height} -d"
+# convert options
+
+COPTS="-font /usr/share/fonts/truetype/ttf-dejavu/DejaVuSans.ttf"
+COPTS="$COPTS -depth 8 -fill white -stroke blue -pointsize 24"
+
# do it ...
if [ -d $directory ]; then
# atoms
if [ -n "$x0" ]; then
- export x0 y0 z0 x1 y1 z1 radius
+ export x0 y0 z0 x1 y1 z1 radius extra
cat $file | grep -v '#' | awk '\
BEGIN {
x0=ENVIRON["x0"]; y0=ENVIRON["y0"]; z0=ENVIRON["z0"];
x1=ENVIRON["x1"]; y1=ENVIRON["y1"]; z1=ENVIRON["z1"];
- radius=ENVIRON["radius"];
+ radius=ENVIRON["radius"]; extra=ENVIRON["extra"];
}
{
if(($2>=x0)&&($3>=y0)&&($4>=z0)&&\
($2<=x1)&&($3<=y1)&&($4<=z1)) {
print "sphere { <"$2","$4","$3">, "radius" ";
- print "texture { pigment { color "$5" } ";
+ if(extra)
+ print "texture { pigment { color rgb<"$6/4.4",0,"1-$6/4.4"> } ";
+ else
+ print "texture { pigment { color "$5" } ";
print "finish { phong 1 metallic } } }";
}
}' >> temp.pov
# boundaries
if [ -z "$bx0" ]; then
- if [ -z "$x0" ]; then
+ #if [ -z "$x0" ]; then
cat $file | grep '# \[D\]' | while read foo bar x1 y1 z1 x2 y2 z2 ; do
- draw_cyl $x1 $z1 $y1 $x2 $z2 $y2 0.05
+ draw_cyl $x1 $y1 $z1 $x2 $y2 $z2 0.05
done
- else
+ #else
+
# manually drawing the 3x4 boundaries ...
- draw_cyl $x0 $y0 $z0 $x1 $y0 $z0
- draw_cyl $x0 $y0 $z0 $x0 $y1 $z0
- draw_cyl $x1 $y1 $z0 $x1 $y0 $z0
- draw_cyl $x0 $y1 $z0 $x1 $y1 $z0
-
- draw_cyl $x0 $y0 $z1 $x1 $y0 $z1
- draw_cyl $x0 $y0 $z1 $x0 $y1 $z1
- draw_cyl $x1 $y1 $z1 $x1 $y0 $z1
- draw_cyl $x0 $y1 $z1 $x1 $y1 $z1
-
- draw_cyl $x0 $y0 $z1 $x0 $y0 $z0
- draw_cyl $x0 $y1 $z1 $x0 $y1 $z0
- draw_cyl $x1 $y0 $z1 $x1 $y0 $z0
- draw_cyl $x1 $y1 $z1 $x1 $y1 $z0
- fi
+# draw_cyl $x0 $y0 $z0 $x1 $y0 $z0
+# draw_cyl $x0 $y0 $z0 $x0 $y1 $z0
+# draw_cyl $x1 $y1 $z0 $x1 $y0 $z0
+# draw_cyl $x0 $y1 $z0 $x1 $y1 $z0
+
+# draw_cyl $x0 $y0 $z1 $x1 $y0 $z1
+# draw_cyl $x0 $y0 $z1 $x0 $y1 $z1
+# draw_cyl $x1 $y1 $z1 $x1 $y0 $z1
+# draw_cyl $x0 $y1 $z1 $x1 $y1 $z1
+
+# draw_cyl $x0 $y0 $z1 $x0 $y0 $z0
+# draw_cyl $x0 $y1 $z1 $x0 $y1 $z0
+# draw_cyl $x1 $y0 $z1 $x1 $y0 $z0
+# draw_cyl $x1 $y1 $z1 $x1 $y1 $z0
+# fi
else
# mv png
$POVRAY temp.pov > /dev/null 2>&1
+ time=`basename $file | awk -F. '{ print $1 }' | awk -F_ '{ print $3 }'`
+ convert $COPTS -draw "text 5,20 't = $time fs'" temp.png temp.png
mv temp.png `echo $file | sed 's/\.xyz/\.png/'`
done