Changeset 4ff081

Timestamp:

Jul 26, 2010, 4:52:24 PM (15 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:

1a3c26

Parents:

ecbc9a

Message:

All FragmentationActions contain now a ActionCall.hpp function.

Location:

src/Actions/FragmentationAction

Files:

• DepthFirstSearchAction.cpp (modified) (2 diffs)
• DepthFirstSearchAction.hpp (modified) (1 diff)
• FragmentationAction.cpp (modified) (2 diffs)
• FragmentationAction.hpp (modified) (1 diff)
• SubgraphDissectionAction.cpp (modified) (2 diffs)
• SubgraphDissectionAction.hpp (modified) (1 diff)

src/Actions/FragmentationAction/DepthFirstSearchAction.cpp

@@ -9 +9 @@
 
 #include "Actions/FragmentationAction/DepthFirstSearchAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "atom.hpp"
 #include "bondgraph.hpp"
@@ -37 +38 @@
 FragmentationDepthFirstSearchAction::~FragmentationDepthFirstSearchAction()
 {}
+
+void FragmentationDepthFirstSearch(double distance) {
+  ValueStorage::getInstance().setCurrentValue(FragmentationDepthFirstSearchAction::NAME, distance);
+  ActionRegistry::getInstance().getActionByName(FragmentationDepthFirstSearchAction::NAME)->call(Action::NonInteractive);
+};
 
 Dialog* FragmentationDepthFirstSearchAction::createDialog() {

src/Actions/FragmentationAction/DepthFirstSearchAction.hpp

@@ -12 +12 @@
 
 class FragmentationDepthFirstSearchAction : public Action {
+  friend void FragmentationDepthFirstSearch(double distance);
+
 public:
   FragmentationDepthFirstSearchAction();

src/Actions/FragmentationAction/FragmentationAction.cpp

@@ -9 +9 @@
 
 #include "Actions/FragmentationAction/FragmentationAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "atom.hpp"
 #include "bondgraph.hpp"
@@ -35 +36 @@
 FragmentationFragmentationAction::~FragmentationFragmentationAction()
 {}
+
+void FragmentationFragmentation(std::string &path, double distance, int order) {
+  ValueStorage::getInstance().setCurrentValue(FragmentationFragmentationAction::NAME, path);
+  ValueStorage::getInstance().setCurrentValue("distance", distance);
+  ValueStorage::getInstance().setCurrentValue("order", order);
+  ActionRegistry::getInstance().getActionByName(FragmentationFragmentationAction::NAME)->call(Action::NonInteractive);
+};
 
 Dialog* FragmentationFragmentationAction::createDialog() {

src/Actions/FragmentationAction/FragmentationAction.hpp

@@ -12 +12 @@
 
 class FragmentationFragmentationAction : public Action {
+  friend void FragmentationFragmentation(std::string &path, double distance, int order);
+
 public:
   FragmentationFragmentationAction();

src/Actions/FragmentationAction/SubgraphDissectionAction.cpp

@@ -9 +9 @@
 
 #include "Actions/FragmentationAction/SubgraphDissectionAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "atom.hpp"
 #include "config.hpp"
@@ -34 +35 @@
 FragmentationSubgraphDissectionAction::~FragmentationSubgraphDissectionAction()
 {}
+
+void FragmentationSubgraphDissection() {
+  ActionRegistry::getInstance().getActionByName(FragmentationSubgraphDissectionAction::NAME)->call(Action::NonInteractive);
+};
 
 Dialog* FragmentationSubgraphDissectionAction::createDialog() {

src/Actions/FragmentationAction/SubgraphDissectionAction.hpp

@@ -12 +12 @@
 
 class FragmentationSubgraphDissectionAction : public Action {
+  friend void FragmentationSubgraphDissection();
+
 public:
   FragmentationSubgraphDissectionAction();