#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2008-2012 University of Bonn
#
#    This program is free software: you can redistribute it and/or modify
#    it under the terms of the GNU General Public License as published by
#    the Free Software Foundation, either version 3 of the License, or
#    (at your option) any later version.
#
#    This program is distributed in the hope that it will be useful,
#    but WITHOUT ANY WARRANTY; without even the implied warranty of
#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#    GNU General Public License for more details.
#
#    You should have received a copy of the GNU General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
# Process with autom4te to create an -*- Autotest -*- test suite.
#
# see regression/... subdirs wherein for each of the cases and each check (enumerated) is a pre and post dir. 
# In pre initial files are placed, in post results can be found to be checked by diff in this testsuite.

AT_INIT([Molecular Builder])
AT_TESTED(basename egrep find grep sed)

# Use colored output with new-enough Autotest.
m4_ifdef([AT_COLOR_TESTS], [AT_COLOR_TESTS])

AT_BANNER([MoleCuilder - Calculations Checks])
m4_include(atlocal)

# MPQC can be found and runs
m4_include(testsuite-calculations-mpqc.at)

# now all the molecules
m4_include(testsuite-calculations-1_2-dimethoxyethane.at)
m4_include(testsuite-calculations-1_2-dimethylbenzene.at)
m4_include(testsuite-calculations-2-methylcyclohexanone.at)
m4_include(testsuite-calculations-anthracene.at)
m4_include(testsuite-calculations-benzene.at)
m4_include(testsuite-calculations-cholesterol.at)
m4_include(testsuite-calculations-coronene.at)
m4_include(testsuite-calculations-cycloheptane.at)
m4_include(testsuite-calculations-dimethyl_bromomalonate.at)
m4_include(testsuite-calculations-glucose.at)
m4_include(testsuite-calculations-heptan.at)
m4_include(testsuite-calculations-isoleucine.at)
m4_include(testsuite-calculations-naphthalene.at)
m4_include(testsuite-calculations-neohexane.at)
m4_include(testsuite-calculations-N_N-dimethylacetamide.at)
m4_include(testsuite-calculations-phenanthrene.at)
m4_include(testsuite-calculations-proline.at)
m4_include(testsuite-calculations-putrescine.at)
m4_include(testsuite-calculations-tartaric_acid.at)