# Copyright (c) 2002-08 Peter Guntert. All rights reserved.
## 7MACROS: dcostat - CYANA macro
##
## Parameters: file=<filename>.ps             (default: dcostat.ps)
##
## Produces a graphics output file with the given name (a Graf file if the
## extension is ".grf", or a Postscript file otherwise) with two plots that show
## the distribution of distance restraints. The first plot shows the number of
## distance restraints plotted against the residue index difference of the
## corresponding atoms. The second plot shows for every residue the number of
## intra-residual (white), short-range (vertically hatched), medium-range
## (horizontally hatched) and long-range (black) restraints.

var echo i m

syntax $macro:file=@f.ps=dcostat.ps classes=2<@i<5=3

echo:=off

# plot versus range

print "x0=-180 y0=50 x1=210 y1=350"                 >$file(1:indexr('$file','.'))grf
print "font=Times textsize=16 autoscale=off"        >>
m=0
do i 0 nr
  m=max(m,ndcdis(i))
end do
m=int(m*1.2)
print "X0=-0.5 Y0=0 X1=${nr-0.5} Y1=$m "            >>
do i 0 nr-1
  print "$i $ndcdis(i)"                             >>
end do
print "fill=1 "                                     >>
print "frame Range|i-j| \"Number of restraints\" "  >>
print "rectangle x-0.5 0 x+0.5 y1"                  >>


# plot versus residue number

print "y0=-330 y1=-30"                              >>
m=0
do i 1 nr
  m=max(m,ndcres(i,nr))
end do
m=int(m*1.2)
print "X0=${rnum(1)-0.5} Y0=0 X1=${rnum(nr)+0.5} Y1=$m " >>
do i 1 nr
  print "$rnum(i) $ndcres(i,nr) $ndcres(i,4) $ndcres(i,1) $ndcres(i,0)" >>
end do
print "frame Sequence \"Number of restraints\" "   >>
print "fill=1 "                                     >>
print "rectangle x-0.5 y2 x+0.5 y1"                 >>
print "fill=4 "                                     >>
print "rectangle x-0.5 y3 x+0.5 y2"                 >>
if (classes.eq.4) then
  print "fill=6 "                                   >>
  print "rectangle x-0.5 y4 x+0.5 y3"               >>
  print "fill=8 "                                   >>
  print "rectangle x-0.5 0 x+0.5 y4"                >>.
else
  print "fill=8 "                                   >>
  print "rectangle x-0.5 0 x+0.5 y3"                >>.
end if

graf $file replace