Changeset 5a8840 for src

Timestamp:

Oct 6, 2011, 4:06:10 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:

0e9ffe

Parents:

12948c

git-author:

Frederik Heber <heber@…> (09/02/11 09:56:53)

git-committer:

Frederik Heber <heber@…> (10/06/11 16:06:10)

Message:

Selection AtomByIdAction now gets atomId_t not const atom *.

• This makes it possible to use it with the GUI where we know the id, not the ref. (and pointer is too low-level, retrieving it should be the problem of the action, not the query).

Location:

src/Actions/SelectionAction/Atoms

Files:

• AtomByIdAction.cpp (modified) (4 diffs)
• AtomByIdAction.def (modified) (1 diff)

src/Actions/SelectionAction/Atoms/AtomByIdAction.cpp

@@ -24 +24 @@
 #include "CodePatterns/Verbose.hpp"
 #include "World.hpp"
+#include "Descriptors/AtomIdDescriptor.hpp"
 
 #include <iostream>
@@ -40 +41 @@
   getParametersfromValueStorage();
 
-  if (params.Walker != NULL) {
-    if (!World::getInstance().isSelected(params.Walker)) {
-      DoLog(1) && (Log() << Verbose(1) << "Selecting atom " << *params.Walker << endl);
-      World::getInstance().selectAtom(params.Walker);
+  const atom *Walker = World::getInstance().getAtom(AtomById(params.WalkerId));
+  if (Walker != NULL) {
+    if (!World::getInstance().isSelected(Walker)) {
+      DoLog(1) && (Log() << Verbose(1) << "Selecting atom " << *Walker << endl);
+      World::getInstance().selectAtom(Walker);
       DoLog(0) && (Log() << Verbose(0) << World::getInstance().countSelectedAtoms() << " atoms selected." << endl);
       return Action::state_ptr(new SelectionAtomByIdState(params));
@@ -57 +59 @@
   SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
 
-  World::getInstance().unselectAtom(state->params.Walker);
+  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId));
+  World::getInstance().unselectAtom(Walker);
 
   return Action::state_ptr(_state);
@@ -65 +68 @@
   SelectionAtomByIdState *state = assert_cast<SelectionAtomByIdState*>(_state.get());
 
-  World::getInstance().selectAtom(state->params.Walker);
+  const atom *Walker = World::getInstance().getAtom(AtomById(state->params.WalkerId));
+  World::getInstance().selectAtom(Walker);
 
   return Action::state_ptr(_state);

src/Actions/SelectionAction/Atoms/AtomByIdAction.def

@@ -12 +12 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
-#define paramtypes (const atom*)
+#define paramtypes (atomId_t)
 #define paramtokens ("select-atom-by-id")
 #define paramdescriptions ("atom index")
 #undef paramdefaults
-#define paramreferences (Walker)
+#define paramreferences (WalkerId)
 
 #undef statetypes