- Timestamp:
- Dec 26, 2025, 9:40:14 PM (3 weeks ago)
- Branches:
- Candidate_v1.7.1, stable
- Children:
- f0234e
- Parents:
- 47ebb2
- git-author:
- Frederik Heber <frederik.heber@…> (11/25/25 07:35:50)
- git-committer:
- Frederik Heber <frederik.heber@…> (12/26/25 21:40:14)
- File:
-
- 1 edited
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tests/GuiChecks/Graph/SubgraphDissection-BoundaryConditions/testsuite-graph-subgraph-dissection_boundary-conditions.at
r47ebb2 r4538c0 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 25 25 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 26 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Wrap Wrap Wrap -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])26 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Wrap Wrap Wrap -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 27 27 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 28 28 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 30 30 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 31 31 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 32 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Wrap Wrap Wrap -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])32 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Wrap Wrap Wrap -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 33 33 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 34 34 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 36 36 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 37 37 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 38 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Wrap Wrap Wrap -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])38 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Wrap Wrap Wrap -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 39 39 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 40 40 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 48 48 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 49 49 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 50 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Bounce Bounce Bounce -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])50 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Bounce Bounce Bounce -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 51 51 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 52 52 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 54 54 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 55 55 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 56 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Bounce Bounce Bounce -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])56 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Bounce Bounce Bounce -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 57 57 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 58 58 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 60 60 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 61 61 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 62 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Bounce Bounce Bounce -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])62 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Bounce Bounce Bounce -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 63 63 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 64 64 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 72 72 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 73 73 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 74 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Ignore Ignore Ignore -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])74 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Ignore Ignore Ignore -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 75 75 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 76 76 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 78 78 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 79 79 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 80 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Ignore Ignore Ignore -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])80 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Ignore Ignore Ignore -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 81 81 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 82 82 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr]) … … 84 84 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/SubgraphDissection-BoundaryConditions/pre/$file $file], 0) 85 85 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore]) 86 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Ignore Ignore Ignore -v 3 - I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr])86 AT_CHECK([../../molecuilder --dry-run -i $file -B "5,0,5,0,0,5" --set-boundary-conditions Ignore Ignore Ignore -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --no-dry-run --store-session session-graph-subgraph-dissection_boundary-conditions.py --session-type python], 0, [stdout], [stderr]) 87 87 AT_CHECK([grep -v "Command.*DryRun" session-graph-subgraph-dissection_boundary-conditions.py >session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [ignore], [ignore]) 88 88 AT_CHECK([../../molecuilderguitest session-graph-subgraph-dissection_boundary-conditions_new.py], 0, [stdout], [stderr])
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