#!/bin/bash


# Taking cell charges from cluster.c
sed  -n '/fractional_atom_charges/,/xtal_map  records/p' cluster.c > cellcharges-pre
sed '1d' cellcharges-pre | sed  '$d' > cellcharges

numcellcharges=`wc -l cellcharges | awk '{print $1}'`

prevcharges=`grep atom_charges cell.c`
# Deleting previous charges

if [ "$prevcharges" == "" ]; then
echo "No previous charges"
else
sed -i '/block = atom_charges/,/block = xtal_map/{//p;d;}' cell.c
sed -i '/block = atom_charges/d' cell.c
fi

# Adding charges to cell.c
sed -i "/xtal_map/ i\
block = atom_charges records = $numcellcharges" cell.c
sed -i '/block = atom_charges records/a  something' cell.c
sed -i '/something/ {r ./cellcharges
d}' cell.c

sed -i "/xtal_map/ i\
block = fractional_atom_charges records = $numcellcharges" cell.c
sed -i '/block = fractional_atom_charges records/a  something' cell.c
sed -i '/something/ {r ./cellcharges
d}' cell.c     


 rm cellcharges-pre cellcharges