Changeset 104524 for src/UIElements/TextUI

Timestamp:

Jun 9, 2010, 2:04:54 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:

94d131

Parents:

c78d44

git-author:

Frederik Heber <heber@…> (06/09/10 11:21:58)

git-committer:

Frederik Heber <heber@…> (06/09/10 14:04:54)

Message:

Changed PairCorrelationAction to incorporate all three cases and handled different parameters needed for each, changed queryElement to list of elements.

PairCorrelationAction:

• PairCorrelationAction has now three cases for Pair, Point and Surface.
• removed PairCorrelationToPointAction, PairCorrelationToSurfaceAction files and from Makefile.am

queryElement:

• queryElement, ElementCommandLineQuery, ElementTextQuery, ElementQuery all changed to use vector<element *>* instead of element
• ChangeElementAction changed accordingly
• oldmenu::AddAtoms() changed accordingly

Others:

• CommandLineWindow::populateAnalysisActions() - missing MolecularVolumeAction and PrinicipalAxisSystemAction.

Location:

src/UIElements/TextUI

Files:

• TextDialog.cpp (modified) (5 diffs)
• TextDialog.hpp (modified) (2 diffs)

src/UIElements/TextUI/TextDialog.cpp

@@ -72 +72 @@
 }
 
-void TextDialog::queryElement(const char* title, const element **target, string description){
+void TextDialog::queryElement(const char* title, std::vector<element *> *target, string description){
   registerQuery(new ElementTextQuery(title,target,description));
 }
@@ -281 +281 @@
 }
 
-TextDialog::ElementTextQuery::ElementTextQuery(std::string title, const element **target, std::string _description) :
-    Dialog::ElementQuery(title,target,_description)
+TextDialog::ElementTextQuery::ElementTextQuery(std::string title, std::vector<element *> *_target, std::string _description) :
+    Dialog::ElementQuery(title,_target,_description)
 {}
 
@@ -291 +291 @@
   bool badInput=false;
   bool aborted = false;
+  element * tmp = NULL;
   do{
     badInput = false;
@@ -307 +308 @@
           Log() << Verbose(0) << "No element with this atomic number!" << endl;
           badInput = true;
+        } else {
+          elements.push_back(tmp);
         }
       }
@@ -329 +332 @@
           Log() << Verbose(0) << "No element with this shorthand!" << endl;
           badInput = true;
+        } else {
+          elements.push_back(tmp);
         }
       }

src/UIElements/TextUI/TextDialog.hpp

@@ -33 +33 @@
   virtual void queryVector(const char*,Vector *,const double * const,bool, std::string = "");
   virtual void queryBox(const char*,double ** const, std::string = "");
-  virtual void queryElement(const char*,const element **, std::string = "");
+  virtual void queryElement(const char*, std::vector<element *> *, std::string = "");
 
 protected:
@@ -102 +102 @@
   class ElementTextQuery : public Dialog::ElementQuery {
   public:
-    ElementTextQuery(std::string title, const element **_target, std::string _description = NULL);
+    ElementTextQuery(std::string title, std::vector<element *> *_target, std::string _description = NULL);
     virtual ~ElementTextQuery();
     virtual bool handle();