#
#    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/>.
#
#
#    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 auto#m4te 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 - Fragmentation])
AT_TESTED(diff grep egrep fgrep)

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

# fragmentation of 1_2-dimethoxyethane
m4_include(Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order1.at)
m4_include(Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order2.at)
m4_include(Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order3.at)
m4_include(Fragmenting/1_2-dimethoxyethane/testsuite-fragmenting-1_2-dimethoxyethane-order4.at)

# fragmentation of 1_2-dimethylbenzene
m4_include(Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order1.at)
m4_include(Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order2.at)
m4_include(Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order3.at)
m4_include(Fragmenting/1_2-dimethylbenzene/testsuite-fragmenting-1_2-dimethylbenzene-order4.at)

# fragmentation of 2-methylcyclohexanone
m4_include(Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order1.at)
m4_include(Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order2.at)
m4_include(Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order3.at)
m4_include(Fragmenting/2-methylcyclohexanone/testsuite-fragmenting-2-methylcyclohexanone-order4.at)

# fragmentation of anthracene
m4_include(Fragmenting/anthracene/testsuite-fragmenting-anthracene-order1.at)
m4_include(Fragmenting/anthracene/testsuite-fragmenting-anthracene-order2.at)
m4_include(Fragmenting/anthracene/testsuite-fragmenting-anthracene-order3.at)
m4_include(Fragmenting/anthracene/testsuite-fragmenting-anthracene-order4.at)
m4_include(Fragmenting/anthracene/testsuite-fragmenting-anthracene-order5.at)
m4_include(Fragmenting/anthracene/testsuite-fragmenting-anthracene-order6.at)

# fragmentation of benzene
m4_include(Fragmenting/benzene/testsuite-fragmenting-benzene-order1.at)
m4_include(Fragmenting/benzene/testsuite-fragmenting-benzene-order2.at)
m4_include(Fragmenting/benzene/testsuite-fragmenting-benzene-order3.at)
m4_include(Fragmenting/benzene/testsuite-fragmenting-benzene-order4.at)
m4_include(Fragmenting/benzene/testsuite-fragmenting-benzene-order5.at)
m4_include(Fragmenting/benzene/testsuite-fragmenting-benzene-order6.at)

# fragmentation of cholesterol
m4_include(Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order1.at)
m4_include(Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order2.at)
m4_include(Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order3.at)
m4_include(Fragmenting/cholesterol/testsuite-fragmenting-cholesterol-order4.at)

# fragmentation of coronene
m4_include(Fragmenting/coronene/testsuite-fragmenting-coronene-order1.at)
m4_include(Fragmenting/coronene/testsuite-fragmenting-coronene-order2.at)
m4_include(Fragmenting/coronene/testsuite-fragmenting-coronene-order3.at)
m4_include(Fragmenting/coronene/testsuite-fragmenting-coronene-order4.at)
m4_include(Fragmenting/coronene/testsuite-fragmenting-coronene-order5.at)
m4_include(Fragmenting/coronene/testsuite-fragmenting-coronene-order6.at)

# fragmentation of cycloheptane
m4_include(Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order1.at)
m4_include(Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order2.at)
m4_include(Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order3.at)
m4_include(Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order4.at)
m4_include(Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order5.at)
m4_include(Fragmenting/cycloheptane/testsuite-fragmenting-cycloheptane-order6.at)

# fragmentation of dimethyl_bromomalonate
m4_include(Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order1.at)
m4_include(Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order2.at)
m4_include(Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order3.at)
m4_include(Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order4.at)
m4_include(Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order5.at)
m4_include(Fragmenting/dimethyl_bromomalonate/testsuite-fragmenting-dimethyl_bromomalonate-order6.at)

# fragmentation of glucose
m4_include(Fragmenting/glucose/testsuite-fragmenting-glucose-order1.at)
m4_include(Fragmenting/glucose/testsuite-fragmenting-glucose-order2.at)
m4_include(Fragmenting/glucose/testsuite-fragmenting-glucose-order3.at)
m4_include(Fragmenting/glucose/testsuite-fragmenting-glucose-order4.at)
m4_include(Fragmenting/glucose/testsuite-fragmenting-glucose-order5.at)
m4_include(Fragmenting/glucose/testsuite-fragmenting-glucose-order6.at)

# fragmentation of heptan
m4_include(Fragmenting/heptan/testsuite-fragmenting-heptan-order1.at)
m4_include(Fragmenting/heptan/testsuite-fragmenting-heptan-order2.at)
m4_include(Fragmenting/heptan/testsuite-fragmenting-heptan-order3.at)
m4_include(Fragmenting/heptan/testsuite-fragmenting-heptan-order4.at)

# fragmentation of isoleucine
m4_include(Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order1.at)
m4_include(Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order2.at)
m4_include(Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order3.at)
m4_include(Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order4.at)
m4_include(Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order5.at)
m4_include(Fragmenting/isoleucine/testsuite-fragmenting-isoleucine-order6.at)

# fragmentation of naphthalene
m4_include(Fragmenting/naphthalene/testsuite-fragmenting-naphthalene-order1.at)
m4_include(Fragmenting/naphthalene/testsuite-fragmenting-naphthalene-order2.at)
m4_include(Fragmenting/naphthalene/testsuite-fragmenting-naphthalene-order3.at)
m4_include(Fragmenting/naphthalene/testsuite-fragmenting-naphthalene-order4.at)
m4_include(Fragmenting/naphthalene/testsuite-fragmenting-naphthalene-order5.at)
m4_include(Fragmenting/naphthalene/testsuite-fragmenting-naphthalene-order6.at)

# fragmentation of neohexane
m4_include(Fragmenting/neohexane/testsuite-fragmenting-neohexane-order1.at)
m4_include(Fragmenting/neohexane/testsuite-fragmenting-neohexane-order2.at)
m4_include(Fragmenting/neohexane/testsuite-fragmenting-neohexane-order3.at)
m4_include(Fragmenting/neohexane/testsuite-fragmenting-neohexane-order4.at)
m4_include(Fragmenting/neohexane/testsuite-fragmenting-neohexane-order5.at)
m4_include(Fragmenting/neohexane/testsuite-fragmenting-neohexane-order6.at)

# fragmentation of N_N-dimethylacetamide
m4_include(Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order1.at)
m4_include(Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order2.at)
m4_include(Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order3.at)
m4_include(Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order4.at)
m4_include(Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order5.at)
m4_include(Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order6.at)

# fragmentation of phenanthrene
m4_include(Fragmenting/phenanthrene/testsuite-fragmenting-phenanthrene-order1.at)
m4_include(Fragmenting/phenanthrene/testsuite-fragmenting-phenanthrene-order2.at)
m4_include(Fragmenting/phenanthrene/testsuite-fragmenting-phenanthrene-order3.at)
m4_include(Fragmenting/phenanthrene/testsuite-fragmenting-phenanthrene-order4.at)
m4_include(Fragmenting/phenanthrene/testsuite-fragmenting-phenanthrene-order5.at)
m4_include(Fragmenting/phenanthrene/testsuite-fragmenting-phenanthrene-order6.at)

# fragmentation of proline
m4_include(Fragmenting/proline/testsuite-fragmenting-proline-order1.at)
m4_include(Fragmenting/proline/testsuite-fragmenting-proline-order2.at)
m4_include(Fragmenting/proline/testsuite-fragmenting-proline-order3.at)
m4_include(Fragmenting/proline/testsuite-fragmenting-proline-order4.at)
m4_include(Fragmenting/proline/testsuite-fragmenting-proline-order5.at)
m4_include(Fragmenting/proline/testsuite-fragmenting-proline-order6.at)

# fragmentation of putrescine 
m4_include(Fragmenting/putrescine/testsuite-fragmenting-putrescine-order1.at)
m4_include(Fragmenting/putrescine/testsuite-fragmenting-putrescine-order2.at)
m4_include(Fragmenting/putrescine/testsuite-fragmenting-putrescine-order3.at)
m4_include(Fragmenting/putrescine/testsuite-fragmenting-putrescine-order4.at)
m4_include(Fragmenting/putrescine/testsuite-fragmenting-putrescine-order5.at)
m4_include(Fragmenting/putrescine/testsuite-fragmenting-putrescine-order6.at)

# fragmentation of tartaric_acid
m4_include(Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order1.at)
m4_include(Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order2.at)
m4_include(Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order3.at)
m4_include(Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order4.at)
m4_include(Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order5.at)
m4_include(Fragmenting/tartaric_acid/testsuite-fragmenting-tartaric_acid-order6.at)