#!/bin/bash
set -e
set -x

pkg="density-fitness"
dir=`dirname $0`
testfilexyz="${dir}/1cbs.cif.gz"
testfilemtz="${dir}/1cbs_map.mtz"
compounds="${dir}/mini-ccd.cif"

if [ "$AUTOPKGTEST_TMP" = "" ] ; then
  AUTOPKGTEST_TMP=`mktemp -d /tmp/${pkg}-test.XXXXXX`
  trap "rm -rf $AUTOPKGTEST_TMP" 0 INT QUIT ABRT PIPE TERM
fi

# simply run density-fitness on 1cbs, should produce an output file
density-fitness --compounds ${compounds} ${testfilemtz} ${testfilexyz} ${AUTOPKGTEST_TMP}/1cbs.json
[ -s ${AUTOPKGTEST_TMP}/1cbs.json ]
