Changeset 4538c0 for tests/GuiChecks/Graph/CreateAdjacency

Timestamp:

Dec 26, 2025, 9:40:14 PM (23 hours ago)

Author:

Frederik Heber <frederik.heber@…>

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)

Message:

Recreated guicheck from regression tests.

File:

• tests/GuiChecks/Graph/CreateAdjacency/testsuite-graph-create-adjacency.at (modified) (6 diffs)

tests/GuiChecks/Graph/CreateAdjacency/testsuite-graph-create-adjacency.at

@@ -25 +25 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-all-atoms --create-adjacency --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-all-atoms --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-graph-create-adjacency.py >session-graph-create-adjacency_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-graph-create-adjacency_new.py], 0, [stdout], [stderr])
@@ -32 +32 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-atom-by-element 6 --create-adjacency --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-atom-by-element 6 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-graph-create-adjacency.py >session-graph-create-adjacency_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-graph-create-adjacency_new.py], 0, [stdout], [stderr])
@@ -45 +45 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-all-atoms --create-adjacency --undo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-all-atoms --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency --undo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-graph-create-adjacency.py >session-graph-create-adjacency_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-graph-create-adjacency_new.py], 0, [stdout], [stderr])
@@ -53 +53 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-atom-by-element 6 --create-adjacency --undo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-atom-by-element 6 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency --undo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-graph-create-adjacency.py >session-graph-create-adjacency_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-graph-create-adjacency_new.py], 0, [stdout], [stderr])
@@ -67 +67 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-all-atoms --create-adjacency --undo --redo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-all-atoms --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency --undo --redo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-graph-create-adjacency.py >session-graph-create-adjacency_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-graph-create-adjacency_new.py], 0, [stdout], [stderr])
@@ -74 +74 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Graph/CreateAdjacency/pre/ethane.xyz $file], 0)
 AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-atom-by-element 6 --create-adjacency --undo --redo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i $file -o pdb --select-atom-by-element 6 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat --create-adjacency --undo --redo --no-dry-run --store-session session-graph-create-adjacency.py --session-type python], 0, [stdout], [stderr])
 AT_CHECK([grep -v "Command.*DryRun" session-graph-create-adjacency.py >session-graph-create-adjacency_new.py], 0, [ignore], [ignore])
 AT_CHECK([../../molecuilderguitest session-graph-create-adjacency_new.py], 0, [stdout], [stderr])