#!/bin/tcsh
#
# usage:  minerals
#
# Cshell-Script for creating a list of EQ3/6 mineral stoichiometry
#
# Author: Dr.Vinzenz Brendler, FZ Dresden-Rossendorf e.V.
#                              Institute of Radiochemistry
#
# Version: 0.40                Date: 19-Aug-2010

setenv PATH $PATH\:$EQ36CO		# include EQ3/6 binaries
								# (and also 'gets' on some systems)
set LIST = $EQ36DA/minerals.list
set TEMP = $LIST.$$				# Temporary Output File

cat /dev/null > $LIST
foreach DB (fzr nea sup)
	set DB_FILE = $EQ36DA/data0.$DB.R2 
	awk '\
	/^solids/,/^liquids/ { print }\
	' $DB_FILE | awk '\
	/^\*/	{next}\
	/^[A-Za-z(]/ { print "#", $1 }\
	/element/,/species/	{ if(NF>1) print }\
	' | sed 's/element.*$//\
s/chemical.*$//\
/solids/d\
/species/d\
/liquids/d\
s/^  *//\
s/  */	/g' | awk '\
	/^#/ { printf "%s	", $0 ; next }\
	{ print }\
	' | awk '\
	/^#/ { printf "\n%s	", $0 ; next }\
	{ printf "%s	" , $0 }\
	END { printf "\n" }\
	' | sed 's/		*/	/g\
/^$/d\
s/#	//\
s/	$//' >> $LIST
end
cat $LIST | sort -u > $TEMP
mv $TEMP $LIST