#!/usr/bin/perl
$pattern = shift(@ARGV); 	# Extract first argument into pattern
open(CMP,"cmp.txt") || die "Can't find cmp.txt: $!\n";
while (<CMP>) {            	# treat the rest of @ARGV as filenames.
  if (/^$pattern\t/i) {            # If the pattern matches...
($name,$C,$H,$N,$O,$Cl,$Br,$I,$S,$MW,$D,$ND,$BP,$MP,$W1,$AB1,$W2,$AB2,$W3,$AB3,
$UVS,$UVRef,$PRef,$IRRef,$NMRRef,$MSRef,$MS1,$MS2,$MS3,$MS4,$CO,$AR,$HT,$QH) =
	split ;
print " $name\n" ;
if ( $C != 0 ) { print " C$C" } ;
if ( $H != 0 ) { print " H$H" } ;
if ( $N != 0 ) { print " N$N" } ;
if ( $O != 0 ) { print " O$O" } ;
if ( $Cl != 0 ) { print " Cl$Cl" } ;
if ( $Br != 0 ) { print " Br$Br" } ;
if ( $I != 0 ) { print " I$I" } ;
if ( $S != 0 ) { print " S$S" } ;
print " 			M.W. $MW g/mol\n" ;
if ( $D != 999 ) { print " density $D g/mL" } ;
if ( $ND != 999 ) { print " 		index refraction nD(20) $ND\n" } ;
if ( $BP != 999 ) { print " boiling point(760) $BP degC" } ;
if ( $MP != 999 ) { print "	 	melting point $MP degC\n" } ;
print "\n";
if ( $W1 != 0 ) {
	print " UV wavelengths and molar absorptivities: " ;
	print " $W1($AB1),$W2($AB2),$W3($AB3)\n" ;
	$sl[1] = "methanol" ;
	$sl[2] = "cyclohexane" ;
	$sl[3] = "hexane" ;
	$sl[4] = "ethanol" ;
	$sl[5] = "water" ;
	$sl[6] = "chloroform" ;
	$sl[7] = "dioxane" ;
	print " UV solvent: $sl[$UVS]\n" ;
	print " UV ref. $UVRef\n" ;
	}
print " Properties Ref. $PRef\n" ;
print " IR ref. $IRRef\n" ;
print " NMR ref. $NMRRef\n" ;
print " Mass Spec. ref. $MSRef\n" ;
print " Four biggest peaks in Mass Spec: $MS1,$MS2,$MS3,$MS4 m/e\n" ;
print " Functional Types:\n" ;
if ( $CO == 1 ) { print " 	Carbonyl\n" } ;
if ( $AR == 1 ) { print " 	Aryl\n" } ;
if ( $HT == 0 ) { print "	no C-H protons\n" } ;
if ( $HT == 1 ) { print "	saturated CH\n" } ;
if ( $HT == 2 ) { print "	unstaurated CH\n" } ;
if ( $HT == 3 ) { print "	both saturated and unsaturated CH\n" } ;
if ( $QH == 1 ) { print "	OH or NH\n" } ;
	}
}