#!/bin/sh
#
# Averages over all ion types

. suffix

if [ -z "$2" ]; then
	echo "Usage: $0 <molecule dir> <variable> [element] <columns> <destfile> [SUFFIX]"
	echo "e.g. ./$0 ../defaults/C2H6 sigma C 4 _rezi"
	echo "would extract sigma for all ions of type carbon, column 1 to 4 of reciprocal calculation out of dir ../defaults/C2H6"
	exit 1
fi

# gather possible ecuts
case $2 in
	"sigma")
		if [ -z "$5" ]; then
			echo "Usage: $0 <molecule dir> <variable> <element> <columns> <destfile> [SUFFIX]"
			echo "e.g. ./$0 ../defaults/C2H6 sigma C 4 result${suf} _rezi"
			echo "would extract sigma for all ions of type carbon, column 1 to 4 of reciprocal calculation out of dir ../defaults/C2H6"
			exit 1
		fi

		RES="$5"
		SUFFIX="$6"
		ecuts="`awk -F' ' {'print $1'}  ${1}/results-${2}_i0_${3}${SUFFIX}${suf} | grep -v ^#`"

		i=-1
		FILES=""
		while   [ "$i" -lt 200 ]; do
		        let i=$i+1
			if [ -e "${1}/results-${2}_i${i}_${3}${SUFFIX}${suf}" ];then
		        	FILES="$FILES ${1}/results-${2}_i${i}_${3}${SUFFIX}${suf}"
			fi
		done
		i=1
		columns="1"
		while   [ "$i" -lt "$4" ]; do
			let i=$i+1
			columns="$columns $i"
		done
	;;
	"chi")
		echo "You can't average chi, it's for the whole molecule!"
		exit 1
	;;
	"seed"|"vol")
		if [ "$2" == "seed" ]; then
			type="Seed"
			if [ -z "$5" ]; then
				echo "Usage: $0 <molecule dir> <variable> <element> <columns> <destfile> [SUFFIX]"
				echo "e.g. $0 ${configdir}/tms/ seed chi 9 pcp.chi_seed${suf}"
				echo "     $0 ${configdir}/tms/ seed H 9 results-sigma_H_rezi_avg_seed${suf} _rezi"
				echo "     $0 ${configdir}/tms/ seed C 9 results-sigma_C_rezi_avg_seed${suf} _rezi"
				echo "would extract sigma C columns 1 to 9 from dir $1 for all found seeds, averaging it and putting average and standard deviation into $5"
				exit 1
			fi
		else
			type="au"
			if [ -z "$5" ]; then
				echo "Usage: $0 <molecule dir> <variable> <element> <columns> <destfile> [SUFFIX]"
				echo "e.g. $0 ${configdir}/tms/ vol chi 9 pcp.chi_vol${suf}"
				echo "     $0 ${configdir}/tms/ vol H 9 results-sigma_H_rezi_avg_vol${suf} _rezi"
				echo "     $0 ${configdir}/tms/ vol C 9 results-sigma_C_rezi_avg_vol${suf} _rezi"
				echo "would extract sigma C columns 1 to 9 from dir $1 for all found volumes, averaging it and putting average and standard deviation into $5"
				exit 1
			fi
		fi


		if [ "$3" == "chi" ]; then
			variable="chi"
		else
			variable="sigma"
		fi
		
		#  Generate "_seed"/"_vol" files and gather in a list for averager	
		RES="$1/$5"
		SUFFIX="$6"
		FILES=""
		case $variable in
			"chi")
				rm -f "$RES"
				j=1
				FILES=""
				while [ "$j" -lt 100 ]; do
					if [ -e "$1/${j}${type}/pcp.chi${SUFFIX}${suf}" ]; then
						tail -n 1 "$1/${j}${type}/pcp.chi${SUFFIX}${suf}" | awk -F"\t" {"print $j"'"\t"$2"\t"$3"\t"$4"\t"$5"\t"$6"\t"$7"\t"$8"\t"$9"\t"$10'} >>"$RES"
					fi
					let j=$j+1
				done
				exit 0
				i=1
				columns="1"
				while   [ "$i" -lt "$4" ]; do
					let i=$i+1
					columns="$columns $i"
				done
			;;
			"sigma")
				i=0
				while   [ "$i" -lt 200 ]; do
					rm -f "$1/pcp.sigma_i${i}_${3}${SUFFIX}_${2}${suf}"
					j=1
					while [ "$j" -lt 100 ]; do
						if [ -e "$1/${j}${type}/pcp.sigma_i${i}_${3}${SUFFIX}${suf}" ]; then
							if [ "$i" == 0 ]; then
								ecuts="$ecuts $j"
							fi
							tail -n 1 "$1/${j}${type}/pcp.sigma_i${i}_${3}${SUFFIX}${suf}" | awk -F"\t" {"print $j"'"\t"$2"\t"$3"\t"$4"\t"$5"\t"$6"\t"$7"\t"$8"\t"$9"\t"$10'} >>"$1/pcp.sigma_i${i}_${3}${SUFFIX}_${2}${suf}"
						fi
						let j=$j+1
					done
					if [ -e "$1/pcp.sigma_i${i}_${3}${SUFFIX}_${2}${suf}" ];then
				        	FILES="$FILES ${1}/pcp.sigma_i${i}_${3}${SUFFIX}_${2}${suf}"
					fi
				        let i=$i+1
				done
				i=1
				columns="1"
				while   [ "$i" -lt "$4" ]; do
					let i=$i+1
					columns="$columns $i"
				done
			;;
		esac
	;;
	*)
	echo "Unknown variable"
	exit 1
	;;
esac

#echo $ecuts
#exit 1
AVERAGER=${bindir}/stochastik
DATE="`date`"

# empty result file and start with header
echo "# Results averaged for element ${2} on $DATE" >$RES
for i in $ecuts; do
	echo -e -n "Averaging ${i} ... "
	#echo $FILES
	echo -e -n "${i}\t" >>$RES
	for col in $columns; do
		echo -n `${AVERAGER} ${col} $i ${FILES} | awk -F"\t" {'print $1'}` >>$RES
		echo -e -n "\t" >>$RES
	done
	for col in $columns; do
		echo -n `${AVERAGER} ${col} $i ${FILES} | awk -F"\t" {'print $2'}` >>$RES
		echo -e -n "\t" >>$RES
	done
	echo -e -n "\n" >>$RES
	echo -e -n "done\n"
done

exit 0