#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2017 Frederik Heber
#
#    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/>.
#
### Rotate around bond

AT_SETUP([Molecules - Rotate around bond])
AT_KEYWORDS([molecules rotate-around-bond])

file=test-90-true.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 90.], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/post/$file], 0, [ignore], [ignore])

file=test-195-true.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 195.], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/post/$file], 0, [ignore], [ignore])

file=test-95-false.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 95. --bondside 0], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/post/$file], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Molecules - Rotate around bond with Undo])
AT_KEYWORDS([molecules rotate-around-bond undo])

file=test.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 90. --undo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' -I 'CONECT.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb], 0, [ignore], [ignore])

file=test-95-false.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 95. --bondside 0 --undo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' -I 'CONECT.*'  $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Molecules - Rotate around bond with Redo])
AT_KEYWORDS([molecules rotate-around-bond redo])

file=test-90-true.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 90. --undo --redo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/post/$file], 0, [ignore], [ignore])

file=test-95-false.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-element C --rotate-around-bond 95. --bondside 0 --undo --redo], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/post/$file], 0, [ignore], [ignore])

AT_CLEANUP

AT_SETUP([Molecules - Rotate around bond fails for cycles])
AT_KEYWORDS([molecules rotate-around-bond cycle])

file=test_cycle.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/test_cycle.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-id 1 2 --rotate-around-bond 90.], 5, [stdout], [stderr])

AT_CLEANUP

AT_SETUP([Molecules - Rotate around bond on almost complete cycle])
AT_KEYWORDS([molecules rotate-around-bond])

file=benzene_90degree.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/pre/benzene.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-order -1 -6 --remove-atom --select-atom-by-id 3 5 --rotate-around-bond 90.], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundBond/post/$file], 0, [ignore], [ignore])

AT_CLEANUP