Changeset b31cfa for src

Timestamp:

Jul 26, 2010, 1:38:38 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:

4e4c4d

Parents:

aa3d7a

Message:

All AnalysisActions contain now a ActionCall.hpp function.

• to have the Action's NAME, the action call function has to be friend of the Action.

Location:

src/Actions/AnalysisAction

Files:

• MolecularVolumeAction.cpp (modified) (2 diffs)
• MolecularVolumeAction.hpp (modified) (1 diff)
• PairCorrelationAction.cpp (modified) (2 diffs)
• PairCorrelationAction.hpp (modified) (2 diffs)
• PointCorrelationAction.cpp (modified) (2 diffs)
• PointCorrelationAction.hpp (modified) (1 diff)
• PrincipalAxisSystemAction.cpp (modified) (2 diffs)
• PrincipalAxisSystemAction.hpp (modified) (1 diff)
• SurfaceCorrelationAction.cpp (modified) (2 diffs)
• SurfaceCorrelationAction.hpp (modified) (1 diff)

src/Actions/AnalysisAction/MolecularVolumeAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AnalysisAction/MolecularVolumeAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "boundary.hpp"
 #include "config.hpp"
@@ -34 +35 @@
 AnalysisMolecularVolumeAction::~AnalysisMolecularVolumeAction()
 {}
+
+void AnalysisMolecularVolume() {
+  ActionRegistry::getInstance().getActionByName(AnalysisMolecularVolumeAction::NAME)->call(Action::NonInteractive);
+};
 
 Dialog * AnalysisMolecularVolumeAction::createDialog() {

src/Actions/AnalysisAction/MolecularVolumeAction.hpp

@@ -12 +12 @@
 
 class AnalysisMolecularVolumeAction : public Action {
+  friend void AnalysisMolecularVolume();
 public:
   AnalysisMolecularVolumeAction();

src/Actions/AnalysisAction/PairCorrelationAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AnalysisAction/PairCorrelationAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "analysis_correlation.hpp"
 #include "boundary.hpp"
@@ -37 +38 @@
 AnalysisPairCorrelationAction::~AnalysisPairCorrelationAction()
 {}
+
+void AnalysisPairCorrelation(std::vector< element *> &elements, double BinStart, double BinWidth, double BinEnd, string &outputname, string &binoutputname, bool periodic) {
+  ValueStorage::getInstance().setCurrentValue("elements", elements);
+  ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
+  ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
+  ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
+  ValueStorage::getInstance().setCurrentValue("output-file", outputname);
+  ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
+  ValueStorage::getInstance().setCurrentValue("periodic", periodic);
+  ActionRegistry::getInstance().getActionByName(AnalysisPairCorrelationAction::NAME)->call(Action::NonInteractive);
+};
+
 
 Dialog* AnalysisPairCorrelationAction::createDialog() {

src/Actions/AnalysisAction/PairCorrelationAction.hpp

@@ -11 +11 @@
 #include "Actions/Action.hpp"
 
+class element;
+
 class AnalysisPairCorrelationAction : public Action {
+  friend void AnalysisPairCorrelation(std::vector< element *> &elements, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
 public:
   AnalysisPairCorrelationAction();
@@ -20 +23 @@
 
   virtual const std::string getName();
+
 private:
   virtual Dialog * createDialog();

src/Actions/AnalysisAction/PointCorrelationAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AnalysisAction/PointCorrelationAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "analysis_correlation.hpp"
 #include "boundary.hpp"
@@ -37 +38 @@
 AnalysisPointCorrelationAction::~AnalysisPointCorrelationAction()
 {}
+
+void AnalysisPointCorrelation(std::vector< element *> &elements, Vector &position, double BinStart, double BinWidth, double BinEnd, string &outputname, string &binoutputname, bool periodic) {
+  ValueStorage::getInstance().setCurrentValue("elements", elements);
+  ValueStorage::getInstance().setCurrentValue("position", position);
+  ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
+  ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
+  ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
+  ValueStorage::getInstance().setCurrentValue("output-file", outputname);
+  ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
+  ValueStorage::getInstance().setCurrentValue("periodic", periodic);
+  ActionRegistry::getInstance().getActionByName(AnalysisPointCorrelationAction::NAME)->call(Action::NonInteractive);
+};
 
 Dialog* AnalysisPointCorrelationAction::createDialog() {

src/Actions/AnalysisAction/PointCorrelationAction.hpp

@@ -10 +10 @@
 
 #include "Actions/Action.hpp"
+#include "vector.hpp"
+
+class element;
 
 class AnalysisPointCorrelationAction : public Action {
+  friend void AnalysisPointCorrelation(std::vector< element *> &elements, Vector &position, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
+
 public:
   AnalysisPointCorrelationAction();

src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "molecule.hpp"
 #include "log.hpp"
@@ -30 +31 @@
 AnalysisPrincipalAxisSystemAction::~AnalysisPrincipalAxisSystemAction()
 {}
+
+void AnalysisPrincipalAxisSystem() {
+  ActionRegistry::getInstance().getActionByName(AnalysisPrincipalAxisSystemAction::NAME)->call(Action::NonInteractive);
+};
 
 Dialog* AnalysisPrincipalAxisSystemAction::createDialog() {

src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp

@@ -12 +12 @@
 
 class AnalysisPrincipalAxisSystemAction : public Action {
+  friend void AnalysisPrincipalAxisSystem();
+
 public:
   AnalysisPrincipalAxisSystemAction();

src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AnalysisAction/SurfaceCorrelationAction.hpp"
+#include "Actions/ActionCalls.hpp"
 #include "analysis_correlation.hpp"
 #include "boundary.hpp"
@@ -37 +38 @@
 AnalysisSurfaceCorrelationAction::~AnalysisSurfaceCorrelationAction()
 {}
+
+void AnalysisSurfaceCorrelation(std::vector< element *> &elements, molecule *mol, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic) {
+  ValueStorage::getInstance().setCurrentValue("elements", elements);
+  ValueStorage::getInstance().setCurrentValue("molecule-by-id", mol);
+  ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
+  ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
+  ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
+  ValueStorage::getInstance().setCurrentValue("output-file", outputname);
+  ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
+  ValueStorage::getInstance().setCurrentValue("periodic", periodic);
+  ActionRegistry::getInstance().getActionByName(AnalysisSurfaceCorrelationAction::NAME)->call(Action::NonInteractive);
+};
+
 
 Dialog* AnalysisSurfaceCorrelationAction::createDialog() {

src/Actions/AnalysisAction/SurfaceCorrelationAction.hpp

@@ -11 +11 @@
 #include "Actions/Action.hpp"
 
+class element;
+class molecule;
+
 class AnalysisSurfaceCorrelationAction : public Action {
+  friend void AnalysisSurfaceCorrelation(std::vector< element *> &elements, molecule *mol, double BinStart, double BinWidth, double BinEnd, std::string &outputname, std::string &binoutputname, bool periodic);
 public:
   AnalysisSurfaceCorrelationAction();