#!/bin/sh
#		spectrum version 3.8 by Nick - Jun. 20, 2020
#		usage: spectrum <#column where energy is stored> datafile
#		The default column where energy is stored is 1
#		Assume that in the column immediately following energy
#		there is an (optional) numeric label that governs the
#		horizontal shift of the lines.
#		All the rest of the rows is taken as label

tmpdir=/tmp
tmpname="$tmpdir"/spectrum_tmp
tmpfile="$tmpname".tex
outfile="$tmpname".ps	# this is the final OUTPUT FILE!!

totalwidth=120	# the full portrait page is 130
totalheight=90	# the full portrait page is 200
framed=1
putlabel=1
arrow=0;	# length of arrows, if 0 no arrows are drawn

echo framed=$framed putlabel=$putlabel

nf=1
ns=""
for i in $*
do
	case $i in
[0-9]*)	nf=$i
		ns="y"
	esac
done
for i in $ns
do
	shift
done

cat << EEE > $tmpfile
\documentclass[a4paper]{letter}
\usepackage{graphicx}
\setlength{\textwidth}{160mm}
\setlength{\oddsidemargin}{3mm}
\thispagestyle{empty}
\begin{document}

\begin{center}
\setlength{\unitlength}{1mm}
\begin{picture}($totalwidth,$totalheight)(0,5)

EEE


awk '
        function abs(x){
            if(x>=0){return x}
            else{return -x}
	}
        function hdash(y){ # draw horizontal dashed line
	    ndash=60;
	    dashwidth=1.*totalwidth/ndash;
	    for(i=0;i<ndash;i++){
		print "\\put(",(i+0.3)*dashwidth,",",y,"){\\line(1,0){",0.4*dashwidth,"}}";
		}
	}
	BEGIN{
	    ie='$nf'
	    totalwidth='$totalwidth';
	    totalheight='$totalheight';
	    width=20	#	of the spectral lines
	    emin=1e30;emax=-1e30
	    xmin=1e30;xmax=-1e30
	    wastefrac=0.03
	    ticklength=2
	    boxtxtx=15		# if the labels are long, increase this!
	    boxtxty=11
	    labelpos=0
	    al='$arrow'; # length of arrows, if 0 no arrows are drawn
	    stringlabel="$n$="	# the lower label is prefixed by this
	    yaxislabel="$E$ [$E_{\\rm Ha}$]"
	    if('$putlabel' == 1){print "\\put(",labelpos-boxtxtx,",",totalheight-boxtxty,"){\\makebox(",boxtxtx,",",boxtxty,")[c]{\\rotatebox[origin=c]{90}{",yaxislabel,"}}}"}
	    if('$framed' == 1){  # draw frame
		print "\\put(0,0){\\framebox(",totalwidth,",",totalheight,")[l]{}}"
		}
	    else{  # draw vertical axis and its label:
		print "\\put(0,0){\\vector(0,1){",totalheight,"}}" # the vertical axis
		}
	    }
	{
	if (!($0 ~ "^#")){
	    tNR++;
#	    if (tNR==1) {Eref=$ie}
	    energy[tNR]=$ie -Eref;
	    extran[tNR]=$(ie+1);
	    label[tNR]="";
	    for(i=1;i<=NF;i++){
		if(i!=ie && i!=ie+1){label[tNR]=label[tNR] " " $i}
	    }
	    if(emin>energy[tNR]){emin=energy[tNR]}
	    if(emax<energy[tNR]){emax=energy[tNR]}
	    if(xmin>extran[tNR]+0){xmin=extran[tNR]+0}
	    if(xmax<extran[tNR]+0){xmax=extran[tNR]+0}
	    }
	}
	END{
	    deltae=emax-emin
	    emin=emin-deltae*wastefrac;emax=emax+deltae*wastefrac;
# one can fix by hand the preferred energy scale HERE:
#	    emin=-295; emax=180; # warning!!! keep commented if you wish autoscale to work!
#	    emax=0.09		 # warning!!! keep commented if you wish autoscale to work!
	    deltae=emax-emin
	    scalefac=totalheight/deltae;
#---------determination of the ticks and scale:------------------------
	    for(i=300;i>-300;i--)	# the range of double
		{
		if(10^i<deltae/3){break}
		}
	    delscale=10^i;
	    if(deltae/delscale>8){delscale*=2};
	    if(emin>0){scalemin=delscale*int(emin/delscale+1)}
	    else      {scalemin=delscale*int(emin/delscale)}
	    for(etick=scalemin-delscale;etick<emax-delscale/4;etick+=delscale){
	        if(abs(etick)<1.e-15*deltae){etick=0}
		ypos= scalefac * (etick-emin)
		yposplus= scalefac * (etick-emin+delscale/2)
		if(ypos>0){
		    print "\\linethickness{0.5 pt}"
		    print "\\put(",0,",",ypos,"){\\line(1,0){",ticklength,"}}"
		    print "\\linethickness{0.03 pt}" #  draw the thin dashes
		    hdash(ypos)
		    if(ypos<totalheight-1.5*boxtxty && '$putlabel' == 1){
			print "\\put(",labelpos-boxtxtx,",",ypos-boxtxty*0.5,"){\\makebox(",boxtxtx,",",boxtxty,")[r]{",etick,"}}"
			}
		    }
		if(yposplus<totalheight && yposplus>0){
		    print "\\linethickness{0.01 pt}" # draw the thin dashes
		    hdash(yposplus)
		    }
		}
#--------------------------------------------the actual lines------------------
	    print "\\linethickness{1.3 pt}"
	    for(i=1;i<=tNR;i++){
		effecwidth=totalwidth-width-2*boxtxtx
		if(xmax==xmin) {xpos=(totalwidth-width)*0.5}
		else {xpos=effecwidth/(xmax-xmin) * (extran[i]-xmin)+boxtxtx*0.5}
		ypos=scalefac * (energy[i]-emin)
		print "\\put(",xpos,",",ypos,"){\\line(1,0){",width,"}}"
		print "\\put(",xpos+width,",",ypos-boxtxty*0.57,"){\\makebox(",boxtxtx,",",boxtxty,")[l]{",label[i],"}}"
		if(al>0){
		    print "\\put(",xpos+width*0.46,",",ypos-al/2,"){\\vector(0,1){",al,"}}";
		    print "\\put(",xpos+width*0.54,",",ypos+al/2,"){\\vector(0,-1){",al,"}}";
		    }
		print "\\put(",xpos+width/2-boxtxtx/2,",",-boxtxty,"){\\makebox(",boxtxtx,",",boxtxty,")[c]{",stringlabel,extran[i],"}}"
		}
	    }' $* >> $tmpfile

cat << ENDD >> $tmpfile

\end{picture}
\end{center}
\end{document}
ENDD

cd $tmpdir
latex $tmpname
dvips $tmpname -o
gv $outfile &
\rm $tmpname.log $tmpname.dvi $tmpname.aux