Changeset 9175c8

Timestamp:

Aug 13, 2025, 9:46:30 PM (3 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

400ee4

Parents:

1e6591

git-author:

Frederik Heber <frederik.heber@…> (08/13/25 21:42:39)

git-committer:

Frederik Heber <frederik.heber@…> (08/13/25 21:46:30)

Message:

TESTFIX: select random number of atoms test cases finalized.

• the test cases were not properly done in 0ad4781ef1. Now, we test for the number for removed atoms, check for failed action on no atoms to select and whether all have been removed.

File:

• tests/regression/Selection/Atoms/AtomByRandom/testsuite-selection-select-atom-by-random.at (modified) (3 diffs)

tests/regression/Selection/Atoms/AtomByRandom/testsuite-selection-select-atom-by-random.at

@@ -26 +26 @@
   AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByRandom/pre/test.xyz $file])
   AT_CHECK([chmod u+w $file], 0)
-  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-random 1 -r], [], [ignore], [ignore])
-  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByRandom/post/id${i}_missing.xyz])
+  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-random $i -r], [], [ignore], [ignore])
+  let remain=8-$i
+  AT_CHECK([grep -c "^H" $file | grep -q $remain], 0, [ignore], [ignore])
   ((i+=1))
 done
@@ -35 +36 @@
 AT_KEYWORDS([selection random atom select-atom-by-random])
 
-AT_CHECK([../../molecuilder -i empty.xyz -v 3 --select-atom-by-random 1], [1], [ignore], [ignore])
+AT_CHECK([../../molecuilder -i empty.xyz -v 3 --select-atom-by-random 1], 5, [ignore], [ignore])
 
 AT_CLEANUP
@@ -42 +43 @@
 AT_KEYWORDS([selection random atom select-atom-by-random])
 
+file=test_all.xyz
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByRandom/pre/test.xyz $file])
 AT_CHECK([chmod u+w $file], 0)
 AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-random 8 -r], [], [ignore], [ignore])
+AT_CHECK([grep -q "^H" $file], 1, [ignore], [ignore])
 
 AT_CLEANUP