cli10.check

#!/bin/bash

function not_passed() {
  echo "NOT Passed: check condition leading to line '$1' of '$0'"
  exit -1
}

if [ ! -f "cli10.log" ] ; then not_passed $LINENO ; fi

if [ ! -f "cli10-mol-0.inp" ] ; then not_passed $LINENO ; fi
if ! grep -q -i "^[[:space:]]*Si[[:space:]]*.*[[:space:]]*.*[[:space:]]*.*$" "cli10-mol-0.inp" ; then not_passed $LINENO ; fi
if ! grep -q -i "^[[:space:]]*Mult[[:space:]]*3$" "cli10-mol-0.inp" ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Cl .*$" cli10-mol-0.inp)
if [ 2 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*C .*$" cli10-mol-0.inp)
if [ 13 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Ge .*$" cli10-mol-0.inp)
if [ 0 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Si .*$" cli10-mol-0.inp)
if [ 1 != "$n" ] ; then not_passed $LINENO ; fi

if [ ! -f "cli10-mol-1.inp" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*O .*$" cli10-mol-1.inp)
if [ 4 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*C .*$" cli10-mol-1.inp)
if [ 10 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Ge .*$" cli10-mol-1.inp)
if [ 0 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Si .*$" cli10-mol-1.inp)
if [ 0 != "$n" ] ; then not_passed $LINENO ; fi

if [ ! -f "cli10-mol-2.inp" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Ge .*$" cli10-mol-2.inp)
if [ 1 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*Si .*$" cli10-mol-2.inp)
if [ 2 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*O .*$" cli10-mol-2.inp)
if [ 0 != "$n" ] ; then not_passed $LINENO ; fi
n=0; n=$(grep -c -i "^[[:space:]]*C .*$" cli10-mol-2.inp)
if [ 1 != "$n" ] ; then not_passed $LINENO ; fi

if grep -q 'Termination status: 0' "cli10.log" ; then echo Passed ; exit 0 ; fi
not_passed $LINENO
exit -1