Changeset f4b6bc9 for src/Actions

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.

Location:

src/Actions

Files:

• FragmentationAction/FragmentationAction.def (modified) (1 diff)
• FragmentationAction/StoreSaturatedFragmentAction.def (modified) (1 diff)
• ParserAction/SetParserParametersAction.def (modified) (1 diff)

src/Actions/FragmentationAction/FragmentationAction.def

@@ -24 +24 @@
 #define paramtokens ("fragment-molecule")("distance")("order")("DoSaturate")("ExcludeHydrogen")("output-types")("max-meshwidth")("grid-level")("inter-order")("DoCyclesFull")("parse-state-files")
 #define paramdescriptions ("prefix of each fragment file")("distance in space up to which fragments are combined")("order of a discretization, dissection, ...")("do saturate dangling bonds with hydrogen")("whether to exclude hydrogen in the bond graph dissection or not")("type(s) of parsers that output fragment config files")("maximum allowed mesh width, i.e. discrete points may be at most that far apart on the fragment grids")("resolution of density sampling multigrid")("up to which order distinct fragments are combined")("always calculate (aromatic) rings fully, even beyond desired order")("whether to parse keysets, orderatsite, adjacency from state files")
-#define paramdefaults (PARAM_DEFAULT("BondFragment"))(PARAM_DEFAULT(3.))(PARAM_DEFAULT(3))(PARAM_DEFAULT(true))(PARAM_DEFAULT(true))(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(5))(PARAM_DEFAULT(0))(PARAM_DEFAULT(false))(PARAM_DEFAULT(false))
+#define paramdefaults (PARAM_DEFAULT("BondFragment"))(PARAM_DEFAULT(3.))(PARAM_DEFAULT(3))(PARAM_DEFAULT(true))(PARAM_DEFAULT(true))(PARAM_DEFAULT(std::vector<std::string>()))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(5))(PARAM_DEFAULT(0))(PARAM_DEFAULT(false))(PARAM_DEFAULT(false))
 #define paramreferences (prefix)(distance)(order)(DoSaturation)(HowtoTreatHydrogen)(types)(max_meshwidth)(level)(InterOrder)(DoCyclesFull)(ParseStateFiles)
 #define paramvalids \

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 \

src/Actions/ParserAction/SetParserParametersAction.def

@@ -21 +21 @@
 #define paramtokens ("set-parser-parameters")("parser-parameters")
 #define paramdescriptions ("name of the parser to change")("parameter (key = value;)")
-#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)
+#define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(std::vector<KeyValuePair>()))
 #define paramreferences (parsername)(newparams)
 #define paramvalids \