Changeset fe6f20 for src/Actions/AtomAction

Timestamp:

Mar 1, 2011, 1:17:09 PM (14 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:

e355762

Parents:

8009ce

git-author:

Frederik Heber <heber@…> (02/25/11 11:20:54)

git-committer:

Frederik Heber <heber@…> (03/01/11 13:17:09)

Message:

New Action SaveSelectedAtoms and renamed SaveAction -> SaveSelectedMoleculesAction.

• for molecules we have short cut "s", for atoms "S".
• added regression tests for both: Atoms/SaveSelectedAtoms, Molecules/SaveSelectedMolecules.

Location:

src/Actions/AtomAction

Files:

• SaveSelectedAtomsAction.cpp (added)
• SaveSelectedAtomsAction.def (added)
• SaveSelectedAtomsAction.hpp (moved) (moved from src/Actions/MoleculeAction/SaveAction.hpp ) (3 diffs)

src/Actions/AtomAction/SaveSelectedAtomsAction.hpp

@@ -1 +1 @@
 /*
- * SaveXyzAction.hpp
+ * SaveSelectedAtomsAction.hpp
  *
  *  Created on: May 8, 2010
@@ -6 +6 @@
  */
 
-#ifndef SAVEXYZACTION_HPP_
-#define SAVEXYZACTION_HPP_
+#ifndef SAVESELECTEDATOMSACTION_HPP_
+#define SAVESELECTEDATOMSACTION_HPP_
 
 // include config.h
@@ -17 +17 @@
 #include "Actions/Action.hpp"
 
-#include "SaveAction.def"
+#include "SaveSelectedAtomsAction.def"
 #include "Action_impl_header.hpp"
 
-#endif /* SAVEXYZACTION_HPP_ */
+#endif /* SAVESELECTEDATOMSACTION_HPP_ */