Changeset 353e82 for src/Actions/AtomAction

Timestamp:

Aug 9, 2010, 6:34:36 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, Candidate_v1.7.0, 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:

0d02fb, 4e6d74, e41c48

Parents:

b5c53d (diff), 1cc87e (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'AddMoreActions' into stable

Location:

src/Actions/AtomAction

Files:

• RotateAroundOriginByAngleAction.cpp (added)
• RotateAroundOriginByAngleAction.hpp (moved) (moved from src/Actions/MoleculeAction/RotateAroundOriginByAngleAction.hpp ) (1 diff)
• TranslateAction.cpp (added)
• TranslateAction.hpp (moved) (moved from src/Actions/MoleculeAction/TranslateAction.hpp ) (1 diff)

src/Actions/AtomAction/RotateAroundOriginByAngleAction.hpp

@@ -11 +11 @@
 #include "Actions/Action.hpp"
 
-class MoleculeListClass;
 class Vector;
 
-void MoleculeRotateOrigin(Vector &Axis);
+void AtomRotateOrigin(Vector &Axis);
 
-class MoleculeRotateAroundOriginByAngleAction : public Action {
-  friend void MoleculeRotateAroundOriginByAngle(const Vector &Axis, double angle);
+class AtomRotateAroundOriginByAngleAction : public Action {
+  friend void AtomRotateAroundOriginByAngle(const Vector &Axis, double angle);
 
 public:
-  MoleculeRotateAroundOriginByAngleAction();
-  virtual ~MoleculeRotateAroundOriginByAngleAction();
+  AtomRotateAroundOriginByAngleAction();
+  virtual ~AtomRotateAroundOriginByAngleAction();
 
   bool canUndo();

src/Actions/AtomAction/TranslateAction.hpp

@@ -12 +12 @@
 #include "LinearAlgebra/Vector.hpp"
 
-class MoleculeListClass;
+void AtomTranslate(Vector &x, bool periodic);
 
-void MoleculeTranslate(Vector &x, bool periodic);
-
-class MoleculeTranslateAction : public Action {
-  friend void MoleculeTranslate(Vector &x, bool periodic);
+class AtomTranslateAction : public Action {
+  friend void AtomTranslate(Vector &x);
 
 public:
-  MoleculeTranslateAction();
-  virtual ~MoleculeTranslateAction();
+  AtomTranslateAction();
+  virtual ~AtomTranslateAction();
 
   bool canUndo();