Changeset 208237b for src/Actions/AnalysisAction

Timestamp:

Oct 25, 2011, 3:28:06 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:

df8759

Parents:

5fd0f4

git-author:

Frederik Heber <heber@…> (02/11/11 22:28:51)

git-committer:

Frederik Heber <heber@…> (10/25/11 15:28:06)

Message:

Renamed DipoleAngularCorrelation(Action) -> DipoleCorrelation(Action) and new DipoleAngularCorrelation(Action).

• DipoleCorrelation performs dipole orientation calculation.
• DipoleAngularCorrelation calculates the change in dipole orienation over time.
• new action DipoleAngularCorrelationAction

Location:

src/Actions/AnalysisAction

Files:

• DipoleAngularCorrelationAction.cpp (modified) (3 diffs)
• DipoleAngularCorrelationAction.def (modified) (2 diffs)
• DipoleAngularCorrelationAction.hpp (modified) (1 diff)
• DipoleCorrelationAction.cpp (added)
• DipoleCorrelationAction.def (added)
• DipoleCorrelationAction.hpp (added)

src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp

@@ -9 +9 @@
  * DipoleAngularCorrelationAction.cpp
  *
- *  Created on: May 9, 2010
+ *  Created on: Feb 11, 2011
  *      Author: heber
  */
@@ -23 +23 @@
 #include "Tesselation/boundary.hpp"
 #include "linkedcell.hpp"
-#include "CodePatterns/Verbose.hpp"
 #include "CodePatterns/Log.hpp"
 #include "Element/element.hpp"
@@ -58 +57 @@
   DipoleAngularCorrelationMap *correlationmap = NULL;
   std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
-  DoLog(0) && (Log() << Verbose(0) << "There are " << molecules.size() << " selected molecules." << std::endl);
+  LOG(0, "STATUS: There are " << molecules.size() << " selected molecules.");
   ASSERT(!params.periodic, "AnalysisDipoleAngularCorrelationAction() - periodic case not implemented.");
   correlationmap = DipoleAngularCorrelation(molecules);

src/Actions/AnalysisAction/DipoleAngularCorrelationAction.def

@@ -2 +2 @@
  * DipoleAngularCorrelationAction.def
  *
- *  Created on: Aug 25, 2010
+ *  Created on: Feb 11, 2011
  *      Author: heber
  */
@@ -24 +24 @@
 #define MENUPOSITION 3
 #define ACTIONNAME DipoleAngularCorrelation
-#define TOKEN "dipole-correlation"
+#define TOKEN "dipole-angular-correlation"
 
 // finally the information stored in the ActionTrait specialization

src/Actions/AnalysisAction/DipoleAngularCorrelationAction.hpp

@@ -2 +2 @@
  * DipoleAngularCorrelationAction.hpp
  *
- *  Created on: May 9, 2010
+ *  Created on: Feb 11, 2011
  *      Author: heber
  */