#!/bin/bash

if [ $# -eq 1 ]; then
    mode="crystal"
    file=$1
elif [ $# -eq 2 ]; then
    mode=$1
    file=$2
else
    echo 'symm [-cl] <filename>'
    exit 1
fi

if [ $mode == -cl ]; then

    if command -v symmol &>/dev/null; then
	cabal res xyz < $file > $file.xyz && csymm $file.xyz | head -1 | awk '{print "("$1")"}'
	rm -f $file.xyz
    else
	echo '(n/a)'
    fi
    
else
    
    if command -v cabal &>/dev/null; then
	cabal res res 0.1 < $file | grep TITL | awk -F '(' '{print $2}' | awk -F ')' '{print $1}' | sed 's/_//g' | awk '{print "("$1")"}'
    else
       	echo '(n/a)'
    fi
    
fi

exit 0