Changeset f47e00b for src/Actions/GraphAction/SubgraphDissectionAction.cpp

Timestamp:

Apr 29, 2014, 12:42:43 PM (11 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:

9bac15

Parents:

237f93

git-author:

Frederik Heber <heber@…> (01/11/14 20:57:55)

git-committer:

Frederik Heber <heber@…> (04/29/14 12:42:43)

Message:

FIX: SubgraphDissectionAction is now a MakroAction, fixed store-session.

• store-session would skip the select-atoms part.
• hence, now we just write SubgraphDissection() command to python script.

File:

• src/Actions/GraphAction/SubgraphDissectionAction.cpp (modified) (6 diffs)

src/Actions/GraphAction/SubgraphDissectionAction.cpp

@@ -47 +47 @@
 #include "Descriptors/AtomDescriptor.hpp"
 
+using namespace MoleCuilder;
+
+// and construct the stuff
 #include "SubgraphDissectionAction.def"
-
-// some derived names: if CATEGORY is not given, we don't prefix with it
-#ifdef CATEGORY
-#define ACTION BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Action))
-#define COMMAND BOOST_PP_CAT(CATEGORY, ACTIONNAME)
-#define PARAMS BOOST_PP_CAT(CATEGORY, BOOST_PP_CAT(ACTIONNAME, Parameters))
-#else
-#define ACTION BOOST_PP_CAT(ACTIONNAME, Action)
-#define COMMAND ACTIONNAME
-#define PARAMS BOOST_PP_CAT(ACTIONNAME, Parameters)
-#endif
-// check if no lists given
-#ifndef paramtypes
-#define MAXPARAMTYPES 0
-#else
-#define MAXPARAMTYPES BOOST_PP_SEQ_SIZE(paramtypes)
-#endif
-#ifndef paramdefaults
-#define MAXPARAMDEFAULTS 0
-#else
-#define MAXPARAMDEFAULTS BOOST_PP_SEQ_SIZE(paramdefaults)
-#endif
-
-namespace MoleCuilder {
+#include "MakroAction_impl_pre.hpp"
+/** =========== define the function ====================== */
 
 // static instances
@@ -77 +58 @@
 bool GraphSubgraphDissectionAction::isPrepared = false;
 
-GraphSubgraphDissectionAction::GraphSubgraphDissectionAction() :
-  MakroAction(ActionTraits< GraphSubgraphDissectionAction >(), actions)
-{}
-
-GraphSubgraphDissectionAction::~GraphSubgraphDissectionAction()
-{}
-
 void GraphSubgraphDissectionAction::prepare(ActionRegistry &AR)
 {
+  actions.addAction(AR.getActionByName(std::string("select-all-atoms")));
   actions.addAction(AR.getActionByName(std::string("destroy-adjacency")));
   actions.addAction(AR.getActionByName(std::string("create-adjacency")));
@@ -111 +86 @@
   // we need to "emulate" that all atoms have been selected without destroying
   // current selection
-  Chronos::getInstance().startTiming(TOKEN);
   const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
-  World::getInstance().selectAllAtoms(AllAtoms());
   ActionState::ptr state(MakroAction::performCall());
   reselectAtoms(selected_atoms);
-  Chronos::getInstance().endTiming(TOKEN);
 
   return state;
@@ -125 +97 @@
   // current selection
   const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
-  World::getInstance().selectAllAtoms(AllAtoms());
   ActionState::ptr state(MakroAction::performUndo(_state));
   reselectAtoms(selected_atoms);
@@ -136 +107 @@
   // current selection
   const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
-  World::getInstance().selectAllAtoms(AllAtoms());
   ActionState::ptr state(MakroAction::performRedo(_state));
   reselectAtoms(selected_atoms);
@@ -143 +113 @@
 }
 
-// =========== command for calling action directly ===========
-void COMMAND(
-#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
-#define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, paramtypes, paramreferences)
-#define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1)
-#include BOOST_PP_LOCAL_ITERATE()
-#endif
-)
-{
-  ACTION *ToCall = dynamic_cast<ACTION*>(ActionQueue::getInstance().getActionByName( TOKEN )); //->clone(params);
-  //ACTION::PARAMS params;
-#if defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
-#define BOOST_PP_LOCAL_MACRO(n) value_print(~, n, paramreferences, ToCall->params.)
-#define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1)
-#include BOOST_PP_LOCAL_ITERATE()
-#endif
-  ActionQueue::getInstance().queueAction( ToCall, Action::NonInteractive);
-};
+bool GraphSubgraphDissectionAction::canUndo(){
+  return true;
+}
 
-void BOOST_PP_CAT( COMMAND, _stringargs)(
-#if defined paramtypes && defined paramreferences && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
-#define BOOST_PP_LOCAL_MACRO(n) type_list(~, n, BOOST_PP_SEQ_TRANSFORM( type2string, , paramtypes), paramreferences)
-#define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1)
-#include BOOST_PP_LOCAL_ITERATE()
-#endif
-  ) {
-  ACTION *ToCall = dynamic_cast<ACTION*>(ActionQueue::getInstance().getActionByName( TOKEN )); //->clone(params);
-  //ACTION::PARAMS params;
-#if defined paramtypes && defined paramtypes && BOOST_PP_NOT_EQUAL(MAXPARAMTYPES,0)
-#define BOOST_PP_LOCAL_MACRO(n) valuetype_print(~, n, paramreferences, paramtypes, ToCall->params. )
-#define BOOST_PP_LOCAL_LIMITS  (0, MAXPARAMTYPES-1)
-#include BOOST_PP_LOCAL_ITERATE()
-#endif
-  ActionQueue::getInstance().queueAction( ToCall, Action::NonInteractive);
-};
-
+bool GraphSubgraphDissectionAction::shouldUndo(){
+  return true;
 }