Changeset 7d9416 for src/UIElements/TextUI

Timestamp:

Jun 13, 2012, 5:39:06 PM (13 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:

d496fd

Parents:

a483e4

git-author:

Michael Ankele <ankele@…> (05/10/12 15:00:12)

git-committer:

Frederik Heber <heber@…> (06/13/12 17:39:06)

Message:

Turned query<Box> into query<RealSpaceMatrix>

• CenterInBox and ChangeBox require RealSpaceMatrix instead of Box now for parameter cell_size.
• changed all query instances for Box, now query for RealSpaceMatrix.
• renamed BoxValue to RealSpaceMatrixValue (no other changes required). This is needed by the CommandLineUI only.

Location:

src/UIElements/TextUI

Files:

• Query/RealSpaceMatrixTextQuery.cpp (moved) (moved from src/UIElements/TextUI/Query/BoxTextQuery.cpp ) (2 diffs)
• Query/TextQuery.hpp (modified) (1 diff)
• TextDialog.cpp (modified) (1 diff)
• TextDialog.hpp (modified) (4 diffs)

src/UIElements/TextUI/Query/RealSpaceMatrixTextQuery.cpp

@@ -29 +29 @@
 
 
-TextDialog::BoxTextQuery::BoxTextQuery(Parameter<Box> &param, std::string title, std::string _description) :
-    Dialog::BoxQuery(param, title,_description)
+TextDialog::RealSpaceMatrixTextQuery::RealSpaceMatrixTextQuery(Parameter<RealSpaceMatrix> &param, std::string title, std::string _description) :
+    Dialog::RealSpaceMatrixQuery(param, title,_description)
 {}
 
-TextDialog::BoxTextQuery::~BoxTextQuery()
+TextDialog::RealSpaceMatrixTextQuery::~RealSpaceMatrixTextQuery()
 {}
 
-bool TextDialog::BoxTextQuery::handle() {
+bool TextDialog::RealSpaceMatrixTextQuery::handle() {
   std::cout << getTitle();
 
@@ -56 +56 @@
   M.set(2,1, temp[4]);
   M.set(2,2, temp[5]);
-  Box temp_box;
-  temp_box.setM(M);
-  tmp.set(temp_box);
+  tmp.set(M);
   return true;
 }

src/UIElements/TextUI/Query/TextQuery.hpp

@@ -38 +38 @@
 };
 
-class TextDialog::BoxTextQuery : public Dialog::BoxQuery {
+class TextDialog::RealSpaceMatrixTextQuery : public Dialog::RealSpaceMatrixQuery {
 public:
-  BoxTextQuery(Parameter<Box> &, std::string title, std::string _description = NULL);
-  virtual ~BoxTextQuery();
+  RealSpaceMatrixTextQuery(Parameter<RealSpaceMatrix> &, std::string title, std::string _description = NULL);
+  virtual ~RealSpaceMatrixTextQuery();
   virtual bool handle();
 };

src/UIElements/TextUI/TextDialog.cpp

@@ -98 +98 @@
 }
 
-void TextDialog::queryBox(Parameter<Box> &param, const char* title, std::string description) {
-  registerQuery(new BoxTextQuery(param, title,description));
+void TextDialog::queryRealSpaceMatrix(Parameter<RealSpaceMatrix> &param, const char* title, std::string description) {
+  registerQuery(new RealSpaceMatrixTextQuery(param, title,description));
 }
 

src/UIElements/TextUI/TextDialog.hpp

@@ -22 +22 @@
 class element;
 class molecule;
+class RealSpaceMatrix;
 class Vector;
 
@@ -46 +47 @@
   virtual void queryVector(Parameter<Vector> &, const char*,bool, std::string = "");
   virtual void queryVectors(Parameter<std::vector<Vector> > &, const char*,bool, std::string = "");
-  virtual void queryBox(Parameter<Box> &, const char*, std::string = "");
+  virtual void queryRealSpaceMatrix(Parameter<RealSpaceMatrix> &, const char*, std::string = "");
   virtual void queryElement(Parameter<const element *> &, const char*, std::string = "");
   virtual void queryElements(Parameter<std::vector<const element *> > &, const char*, std::string = "");
@@ -59 +60 @@
   class AtomsTextQuery;
   class BooleanTextQuery;
-  class BoxTextQuery;
   class DoubleTextQuery;
   class DoublesTextQuery;
@@ -70 +70 @@
   class MoleculeTextQuery;
   class MoleculesTextQuery;
+  class RealSpaceMatrixTextQuery;
   class StringTextQuery;
   class StringsTextQuery;