| [9782e20] | 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2013-2024 Frederik Heber
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| 18 | ### bondify atom
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| 19 |
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| 20 | AT_SETUP([Atoms - bondify atom])
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| 21 | AT_KEYWORDS([atoms bondify-atoms])
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| 22 |
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| 23 | file=bondify-test.data
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| 24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/Bondify/pre/${file} .], 0)
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| 25 | AT_CHECK([chmod u+w ${file}], 0)
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| [d2be22] | 26 | AT_CHECK([../../molecuilder -i ${file} --select-atom-by-element 6 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --bondify-atoms --output-as output.data], 0, [ignore], [ignore])
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| [9782e20] | 27 | AT_CHECK([diff output.data ${abs_top_srcdir}/tests/regression/Atoms/Bondify/post/${file}], 0, [ignore], [ignore])
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| 28 |
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| 29 | AT_CLEANUP
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| 30 |
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| 31 |
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| 32 | AT_SETUP([Atoms - bondify atom with Undo])
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| 33 | AT_KEYWORDS([atoms bondify-atoms undo])
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| 34 |
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| 35 | file=bondify-test.data
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| 36 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/Bondify/pre/${file} .], 0)
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| 37 | AT_CHECK([chmod u+w ${file}], 0)
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| [d2be22] | 38 | AT_CHECK([../../molecuilder -i ${file} --select-atom-by-element 6 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --bondify-atoms --undo --output-as output-undo.data], 0, [ignore], [ignore])
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| [9782e20] | 39 | AT_CHECK([diff output-undo.data ${abs_top_srcdir}/tests/regression/Atoms/Bondify/pre/${file}], 0, [ignore], [ignore])
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| 40 |
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| 41 | AT_CLEANUP
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| 42 |
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| 43 |
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| 44 | AT_SETUP([Atoms - bondify atom with Redo])
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| 45 | AT_KEYWORDS([atoms bondify-atoms redo])
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| 46 |
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| 47 | file=bondify-test.data
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| 48 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/Bondify/pre/${file} .], 0)
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| 49 | AT_CHECK([chmod u+w ${file}], 0)
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| [d2be22] | 50 | AT_CHECK([../../molecuilder -i ${file} --select-atom-by-element 6 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --bondify-atoms --undo --redo --output-as output-redo.data], 0, [ignore], [ignore])
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| [9782e20] | 51 | AT_CHECK([diff output-redo.data ${abs_top_srcdir}/tests/regression/Atoms/Bondify/post/${file}], 0, [ignore], [ignore])
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| 52 |
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| 53 | AT_CLEANUP
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