Changeset f4b6bc9 for src/Actions/FragmentationAction/StoreSaturatedFragmentAction.def

Timestamp:

Apr 4, 2018, 4:59:24 PM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

0aae02

Parents:

775f3f

git-author:

Frederik Heber <frederik.heber@…> (07/06/17 22:18:13)

git-committer:

Frederik Heber <frederik.heber@…> (04/04/18 16:59:24)

Message:

Query::handle() no longer returns bool but has internal result flag.

• we use this flag conditionally in setResult(), i.e. if the handle() has failed, then we should not set its result which might overwrite a present default value in the parameter.
• this fixes the problem with StepWorldTime which has a default value of 1 but which was overwritten with 0 because of the non-conditionally calling of setResult().
• this required change of "output-types" default parameter to an empty vector. So far, we were just lucky that this actually worked.
• also StoreSaturatedFragmentAction needed the same change as default values have to be consistent over the specific token.

File:

• src/Actions/FragmentationAction/StoreSaturatedFragmentAction.def (modified) (1 diff)

src/Actions/FragmentationAction/StoreSaturatedFragmentAction.def

@@ -20 +20 @@
 #define paramtokens ("store-saturated-fragment")("DoSaturate")("output-types")
 #define paramdescriptions ("name of fragment file")("do saturate dangling bonds with hydrogen")("type(s) of parsers that output fragment config files")
-#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(true))(NOPARAM_DEFAULT)
+#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(true))(PARAM_DEFAULT(std::vector<std::string>()))
 #define paramreferences (prefix)(DoSaturation)(types)
 #define paramvalids \