#!/bin/bash

set -e

#########################
# Test usage is correct #
#########################

if [ $# -ne 5 ]; then
    echo 1>&2 "Usage: reshake  <posamp> <cellamp> <maxatoms> <nstructures> <seed>"
    exit 127
fi

mkdir -p shook

for f in $5-*.res
do

    nat=`cat $f | grep -v "^REM" | wc -l`
    
    let nat=nat-5

    if [ $3 -le $nat ]
    then
	let nsuper=1
    else
	let nsuper=$3/$nat
    fi
    
    fseed=${f%.*}

    # Make sure the unshaken structure is included
    
    rndstrng=`head /dev/urandom | tr -dc A-Za-z0-9 | head -c 7`

    fname=$fseed-$rndstrng
    
    (cabal res res 0 <$f | cabal res cell && echo -e "#POSAMP=0\n#CELLAMP=0\n#MINSEP=0\n#SUPERCELL=$nsuper\n#COMPACT") | buildcell 2>/dev/null | cabal cell res | sed "s/cabal-in-out/$fname/g" > ./shook/$fname.res
    
    for (( n=1; n<=$4; n++ ))
    do
	(rndstrng=`head /dev/urandom | tr -dc A-Za-z0-9 | head -c 7`
	
	fname=$fseed-$rndstrng

	(cabal res res 0 <$f | cabal res cell && echo -e "#POSAMP=$1\n#CELLAMP=$2\n#MINSEP=0\n#SUPERCELL=$nsuper\n#COMPACT") | buildcell 2>/dev/null | cabal cell res | sed "s/cabal-in-out/$fname/g" > ./shook/$fname.res)&
	
    done
    
done

exit 0