Changeset a4b917 for tests/regression/Potential

Timestamp:

Sep 13, 2025, 2:43:45 PM (7 weeks ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

85dd16

Parents:

a0d8aa

git-author:

Frederik Heber <frederik.heber@…> (08/17/25 17:42:07)

git-committer:

Frederik Heber <frederik.heber@…> (09/13/25 14:43:45)

Message:

Adds add and remove potential actions.

• DOC: Adds missing actions to userguide.
• TESTS: added actions test case with undo, redo and various cases.

Location:

tests/regression/Potential

Files:

• AddPotential/pre/harmonic.potentials (added)
• AddPotential/testsuite-potential-add-potential-various_cases.at (added)
• AddPotential/testsuite-potential-add-potential.at (added)
• RemovePotential/pre/harmonic.potentials (added)
• RemovePotential/testsuite-potential-remove-potential-various_cases.at (added)
• RemovePotential/testsuite-potential-remove-potential.at (added)
• testsuite-potential.at (modified) (1 diff)

tests/regression/Potential/testsuite-potential.at

@@ -19 +19 @@
 AT_BANNER([MoleCuilder - potential tests])
 
+# adding a potential
+m4_include([Potential/AddPotential/testsuite-potential-add-potential.at])
+m4_include([Potential/AddPotential/testsuite-potential-add-potential-various_cases.at])
+
 # parsing and saving potential file
 m4_include([Potential/SaveParsePotentials/testsuite-potential-save-parse-potentials.at])
+
+# removing a potential
+m4_include([Potential/RemovePotential/testsuite-potential-remove-potential.at])
+m4_include([Potential/RemovePotential/testsuite-potential-remove-potential-various_cases.at])
 
 # fitting potential to fragment results