Changeset 400ee4 for tests/regression/Selection

Timestamp:

Aug 13, 2025, 9:50:48 PM (3 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

f5e28b

Parents:

9175c8

Message:

TESTFIX: finalizes regression test cases for atom neighbor selection.

• this was not properly done in 4de4f663ef.

File:

• tests/regression/Selection/Atoms/AtomsNeighbors/testsuite-selection-select-atoms-neighbors.at (modified) (3 diffs)

tests/regression/Selection/Atoms/AtomsNeighbors/testsuite-selection-select-atoms-neighbors.at

@@ -21 +21 @@
 AT_KEYWORDS([selection atom select-atoms-neighbors])
 
+file=test_H.xyz
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsNeighbors/pre/test.xyz $file])
 AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder -i $file -v 3 -I --select-atoms-by-element H --select-atom-neighbors -r], [], [ignore], [ignore])
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-atom-by-element H --select-atoms-neighbors -r], [], [ignore], [ignore])
 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsNeighbors/post/empty.xyz])
 
@@ -31 +32 @@
 AT_KEYWORDS([selection atom select-atoms-neighbors undo])
 
+file=test_H_undo.xyz
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsNeighbors/pre/test.xyz $file])
 AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder -i $file -v 3 -I --select-atoms-by-element H --select-atom-neighbors --undo -r], [], [ignore], [ignore])
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-atom-by-element H --select-atoms-neighbors --undo -r], [], [ignore], [ignore])
 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsNeighbors/post/H_missing.xyz])
 
@@ -41 +43 @@
 AT_KEYWORDS([selection atom select-atoms-neighbors])
 
+file=test_H_redo.xyz
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsNeighbors/pre/test.xyz $file])
 AT_CHECK([chmod u+w $file], 0)
-AT_CHECK([../../molecuilder -i $file -v 3 -I --select-atoms-by-element H --select-atom-neighbors --undo --redo -r], [], [ignore], [ignore])
+AT_CHECK([../../molecuilder -i $file -v 3 -I --select-atom-by-element H --select-atoms-neighbors --undo --redo -r], [], [ignore], [ignore])
 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsNeighbors/post/empty.xyz])