Changeset bdd1d0

Timestamp:

Dec 26, 2025, 9:40:14 PM (6 days ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.1, stable

Children:

f2d5ce

Parents:

f0234e

git-author:

Frederik Heber <frederik.heber@…> (11/25/25 08:07:46)

git-committer:

Frederik Heber <frederik.heber@…> (12/26/25 21:40:14)

Message:

FIX: GeneratePotentials action also accepts empty potential list.

• this fixes the guicheck test on a stored session where the potential-list parameter would be set from the python action but empty.

Location:

src/Actions/PotentialAction

Files:

• GeneratePotentialsAction.cpp (modified) (1 diff)
• GeneratePotentialsAction.def (modified) (1 diff)

src/Actions/PotentialAction/GeneratePotentialsAction.cpp

@@ -84 +84 @@
   // gather list of potential candidates
   std::vector<std::string> potentials;
-  if (!params.potential_list.isSet()) {
+  if ((!params.potential_list.isSet()) || (params.potential_list.get().empty())) {
     for (unsigned int i=0; i<PotentialTypesMax; ++i)
       potentials.push_back(PotentialFactory::getNameForType((enum PotentialTypes)i));

src/Actions/PotentialAction/GeneratePotentialsAction.def

@@ -19 +19 @@
 #define paramtokens ("fragment-charges")("potential-list")
 #define paramdescriptions ("charges specifying the fragment")("list of potentials to generate or empty for all")
-#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)
+#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(std::vector<std::string>()))
 #define paramreferences (fragment)(potential_list)
 #define paramvalids \