Changeset 6ba9ba for src/Actions/SelectionAction/Atoms

Timestamp:

Jun 13, 2012, 5:39:24 PM (13 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

2aad5a

Parents:

ab2ebe

git-author:

Frederik Heber <heber@…> (06/05/12 14:59:10)

git-committer:

Frederik Heber <heber@…> (06/13/12 17:39:24)

Message:

Default values are properly set by the Action into their (Action)Parameters.

• we changed the boost::preprocessor magic to accomplish this.
• NODEFAULT -> NOPARAM_DEFAULT to be safe.
• it has been a hell of a lot of work to make it possible to add a construct such as ", default" to the call of a function, either the comma or the default is easy but both could only be accomplished via a list contained in the sequence of default values. Because the list has an explicit NIL element which is taken as NOPARAM_DEFAULT.
• PARAM_DEFAULT is a macro to wrap the default value into a list.

Location:

src/Actions/SelectionAction/Atoms

Files:

• AllAtomsAction.def (modified) (1 diff)
• AllAtomsInsideCuboidAction.def (modified) (1 diff)
• AllAtomsInsideSphereAction.def (modified) (1 diff)
• AllAtomsOfMoleculeAction.def (modified) (1 diff)
• AtomByElementAction.def (modified) (1 diff)
• AtomByIdAction.def (modified) (1 diff)
• AtomByOrderAction.def (modified) (1 diff)
• ClearAllAtomsAction.def (modified) (1 diff)
• InvertAtomsAction.def (modified) (1 diff)
• NotAllAtomsAction.def (modified) (1 diff)
• NotAllAtomsInsideCuboidAction.def (modified) (1 diff)
• NotAllAtomsInsideSphereAction.def (modified) (1 diff)
• NotAllAtomsOfMoleculeAction.def (modified) (1 diff)
• NotAtomByElementAction.def (modified) (1 diff)
• NotAtomByIdAction.def (modified) (1 diff)
• NotAtomByOrderAction.def (modified) (1 diff)

src/Actions/SelectionAction/Atoms/AllAtomsAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens

src/Actions/SelectionAction/Atoms/AllAtomsInsideCuboidAction.def

@@ -17 +17 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (Vector)(Vector)(double)(double)(double)
 #define paramtokens ("select-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z")
 #define paramdescriptions ("dimensions of cuboid")("position in R^3 space")("angle of a rotation around x axis")("angle of a rotation around y axis")("angle of a rotation around z axis")
-#define paramdefaults (NODEFAULT)(NODEFAULT)("0.")("0.")("0.")
+#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))
 #define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle)
 #define paramvalids \

src/Actions/SelectionAction/Atoms/AllAtomsInsideSphereAction.def

@@ -15 +15 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (double)(Vector)
 #define paramtokens ("select-atoms-inside-sphere")("position")

src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens

src/Actions/SelectionAction/Atoms/AtomByElementAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (const element*)
 #define paramtokens ("select-atom-by-element")

src/Actions/SelectionAction/Atoms/AtomByIdAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (atomId_t)
 #define paramtokens ("select-atom-by-id")

src/Actions/SelectionAction/Atoms/AtomByOrderAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (int)
 #define paramtokens ("select-atom-by-order")

src/Actions/SelectionAction/Atoms/ClearAllAtomsAction.def

@@ -12 +12 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens

src/Actions/SelectionAction/Atoms/InvertAtomsAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens

src/Actions/SelectionAction/Atoms/NotAllAtomsAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens

src/Actions/SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.def

@@ -18 +18 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (Vector)(Vector)(double)(double)(double)
 #define paramtokens ("unselect-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z")
 #define paramdescriptions ("dimension of cuboid")("position in R^3 space")("angle of a rotation around x axis")("angle of a rotation around y axis")("angle of a rotation around z axis")
-#define paramdefaults (NODEFAULT)(NODEFAULT)("0.")("0.")("0.")
+#define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))
 #define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle)
 #define paramvalids \

src/Actions/SelectionAction/Atoms/NotAllAtomsInsideSphereAction.def

@@ -15 +15 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (double)(Vector)
 #define paramtokens ("unselect-atoms-inside-sphere")("position")

src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens

src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (const element*)
 #define paramtokens ("unselect-atom-by-element")

src/Actions/SelectionAction/Atoms/NotAtomByIdAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (atomId_t)
 #define paramtokens ("unselect-atom-by-id")

src/Actions/SelectionAction/Atoms/NotAtomByOrderAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
 #define paramtypes (int)
 #define paramtokens ("unselect-atom-by-order")