Changeset 5ec8e3 for src/UIElements/CommandLineUI

Timestamp:

Jul 2, 2010, 9:51:01 AM (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:

36166d

Parents:

56fb09 (diff), 7ac4af (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 'VectorRefactoring' into StructureRefactoring

Conflicts:

molecuilder/src/Makefile.am

Location:

src/UIElements/CommandLineUI

Files:

• CommandLineDialog.cpp (modified) (4 diffs)
• CommandLineDialog.hpp (modified) (3 diffs)

src/UIElements/CommandLineUI/CommandLineDialog.cpp

@@ -27 +27 @@
 #include "verbose.hpp"
 #include "World.hpp"
+#include "Box.hpp"
 
 #include "atom.hpp"
@@ -73 +74 @@
 }
 
-void CommandLineDialog::queryVector(const char* title, Vector *target,const double *const cellSize, bool check, string _description) {
-  registerQuery(new VectorCommandLineQuery(title,target,cellSize,check, _description));
-}
-
-void CommandLineDialog::queryBox(const char* title, double ** const cellSize, string _description) {
+void CommandLineDialog::queryVector(const char* title, Vector *target, bool check, string _description) {
+  registerQuery(new VectorCommandLineQuery(title,target,check, _description));
+}
+
+void CommandLineDialog::queryBox(const char* title, Box* cellSize, string _description) {
   registerQuery(new BoxCommandLineQuery(title,cellSize,_description));
 }
@@ -202 +203 @@
 }
 
-CommandLineDialog::VectorCommandLineQuery::VectorCommandLineQuery(string title, Vector *_target, const double *const _cellSize, bool _check, string _description) :
-    Dialog::VectorQuery(title,_target,_cellSize,_check, _description)
+CommandLineDialog::VectorCommandLineQuery::VectorCommandLineQuery(string title, Vector *_target, bool _check, string _description) :
+    Dialog::VectorQuery(title,_target,_check, _description)
 {}
 
@@ -224 +225 @@
 
 
-CommandLineDialog::BoxCommandLineQuery::BoxCommandLineQuery(string title, double ** const _cellSize, string _description) :
+CommandLineDialog::BoxCommandLineQuery::BoxCommandLineQuery(string title, Box* _cellSize, string _description) :
     Dialog::BoxQuery(title,_cellSize, _description)
 {}

src/UIElements/CommandLineUI/CommandLineDialog.hpp

@@ -34 +34 @@
   virtual void queryAtom(const char*,atom**, std::string = "");
   virtual void queryMolecule(const char*,molecule**,std::string = "");
-  virtual void queryVector(const char*,Vector *,const double * const,bool, std::string = "");
-  virtual void queryBox(const char*,double ** const, std::string = "");
+  virtual void queryVector(const char*,Vector *,bool, std::string = "");
+  virtual void queryBox(const char*,Box *, std::string = "");
   virtual void queryElement(const char*, std::vector<element *> *, std::string = "");
 
@@ -91 +91 @@
   class VectorCommandLineQuery : public Dialog::VectorQuery {
   public:
-    VectorCommandLineQuery(std::string title,Vector *_target,const double *const _cellSize,bool _check, std::string _description = "");
+    VectorCommandLineQuery(std::string title,Vector *_target,bool _check, std::string _description = "");
     virtual ~VectorCommandLineQuery();
     virtual bool handle();
@@ -98 +98 @@
   class BoxCommandLineQuery : public Dialog::BoxQuery {
   public:
-    BoxCommandLineQuery(std::string title,double ** const _cellSize, std::string _description = "");
+    BoxCommandLineQuery(std::string title,Box* _cellSize, std::string _description = "");
     virtual ~BoxCommandLineQuery();
     virtual bool handle();