Changeset bfce50

Timestamp:

Feb 2, 2010, 12:14:54 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

520c8b

Parents:

d5f216

git-author:

Tillmann Crueger <crueger@…> (01/15/10 15:53:29)

git-committer:

Tillmann Crueger <crueger@…> (02/02/10 12:14:54)

Message:

Moved method to rename molecules to a seperate Action

Location:

src

Files:

• Actions/Action.hpp (modified) (1 diff)
• Actions/small_actions.cpp (added)
• Actions/small_actions.hpp (added)
• Makefile.am (modified) (1 diff)
• builder.cpp (modified) (3 diffs)
• molecule.hpp (modified) (1 diff)
• moleculelist.cpp (modified) (1 diff)

src/Actions/Action.hpp

@@ -29 +29 @@
   virtual void undo()=0;
   virtual bool canUndo()=0;
+  //virtual bool shouldUndo()=0;
 
   virtual const std::string getName();

src/Makefile.am

@@ -8 +8 @@
 ANALYSISHEADER = analysis_bonds.hpp analysis_correlation.hpp
 
-ACTIONSSOURCE = Actions/Action.cpp Actions/MethodAction.cpp Actions/ActionSequence.cpp Actions/MakroAction.cpp Actions/ErrorAction.cpp Actions/ActionRegistry.cpp
-ACTIONSHEADER = Actions/Action.hpp Actions/MethodAction.hpp Actions/ActionSequence.hpp Actions/MakroAction.hpp Actions/ErrorAction.hpp Actions/ActionRegistry.hpp
+ACTIONSSOURCE = Actions/Action.cpp Actions/MethodAction.cpp Actions/ActionSequence.cpp Actions/MakroAction.cpp Actions/ErrorAction.cpp Actions/small_actions.cpp Actions/ActionRegistry.cpp 
+ACTIONSHEADER = Actions/Action.hpp Actions/MethodAction.hpp Actions/ActionSequence.hpp Actions/MakroAction.hpp Actions/ErrorAction.hpp Actions/small_actions.hpp Actions/ActionRegistry.hpp
 
 PATTERNSOURCE = Patterns/Observer.cpp

src/builder.cpp

@@ -75 +75 @@
 #include "Actions/ActionRegistry.hpp"
 #include "Actions/MethodAction.hpp"
+#include "Actions/small_actions.hpp"
 #include "version.h"
 
@@ -266 +267 @@
         if (i >= 2) {
           first->x.LSQdistance((const Vector **)atoms, i);
-
           first->x.Output();
           first->type = periode->AskElement();  // give type
@@ -2117 +2117 @@
   new ActionMenuItem('l',"load molecule from xyz file",editMoleculesMenu,loadMoleculeAction);
 
-  Action *changeFilenameAction = new MethodAction("changeFilenameAction",boost::bind(&MoleculeListClass::changeName,molecules));
+  Action *changeFilenameAction = new ChangeMoleculeNameAction(molecules);
   new ActionMenuItem('n',"change molecule's name",editMoleculesMenu,changeFilenameAction);
 

src/molecule.hpp

@@ -335 +335 @@
   void createNewMolecule(periodentafel *periode);
   void loadFromXYZ(periodentafel *periode);
-  void changeName();
   void setMoleculeFilename();
   void parseXYZIntoMolecule();

src/moleculelist.cpp

@@ -918 +918 @@
 }
 
-void MoleculeListClass::changeName(){
-  char filename[MAXSTRINGSIZE];
-  molecule *mol = NULL;
-  int nr;
-  do {
-    Log() << Verbose(0) << "Enter index of molecule: ";
-    cin >> nr;
-    mol = ReturnIndex(nr);
-  } while (mol == NULL);
-  Log() << Verbose(0) << "Enter name: ";
-  cin >> filename;
-  strcpy(mol->name, filename);
-}
-
 void MoleculeListClass::setMoleculeFilename() {
   char filename[MAXSTRINGSIZE];