Changeset 7d9416 for src/UIElements/CommandLineUI

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/CommandLineUI

Files:

• CommandLineDialog.cpp (modified) (1 diff)
• CommandLineDialog.hpp (modified) (3 diffs)
• CommandLineParser.cpp (modified) (2 diffs)
• CommandLineParser_validate.cpp (modified) (2 diffs)
• CommandLineParser_validate.hpp (modified) (1 diff)
• Query/CommandLineQuery.hpp (modified) (1 diff)
• Query/RealSpaceMatrixCommandLineQuery.cpp (moved) (moved from src/UIElements/CommandLineUI/Query/BoxCommandLineQuery.cpp ) (1 diff)
• TypeEnumContainer.cpp (modified) (2 diffs)
• TypeEnumContainer.hpp (modified) (2 diffs)

src/UIElements/CommandLineUI/CommandLineDialog.cpp

@@ -100 +100 @@
 }
 
-void CommandLineDialog::queryBox(Parameter<Box> &param, const char* title, std::string _description) {
-  registerQuery(new BoxCommandLineQuery(param, title,_description));
+void CommandLineDialog::queryRealSpaceMatrix(Parameter<RealSpaceMatrix> &param, const char* title, std::string _description) {
+  registerQuery(new RealSpaceMatrixCommandLineQuery(param, title,_description));
 }
 

src/UIElements/CommandLineUI/CommandLineDialog.hpp

@@ -49 +49 @@
   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 = "");
@@ -61 +61 @@
   class AtomsCommandLineQuery;
   class BooleanCommandLineQuery;
-  class BoxCommandLineQuery;
   class DoubleCommandLineQuery;
   class DoublesCommandLineQuery;
@@ -72 +71 @@
   class MoleculeCommandLineQuery;
   class MoleculesCommandLineQuery;
+  class RealSpaceMatrixCommandLineQuery;
   class StringCommandLineQuery;
   class StringsCommandLineQuery;

src/UIElements/CommandLineUI/CommandLineParser.cpp

@@ -193 +193 @@
         ;
       break;
-    case TypeEnumContainer::BoxType:
-      OptionList->add_options()
-        (currentOption->getKeyAndShortForm().c_str(),
-//            currentOption->hasDefaultValue() ?
-//                  po::value < BoxValue >()->default_value(boost::lexical_cast<BoxValue>(currentOption->getDefaultValue().c_str())) :
-                  po::value < BoxValue >(),
-                  currentOption->getDescription().c_str())
-        ;
-      break;
     case TypeEnumContainer::FileType:
       OptionList->add_options()
@@ -370 +361 @@
                   po::value < std::string >()->default_value(boost::lexical_cast< std::string >(currentOption->getDefaultValue().c_str())) :
                   po::value < std::string >(),
+                  currentOption->getDescription().c_str())
+        ;
+      break;
+    case TypeEnumContainer::RealSpaceMatrixType:
+      OptionList->add_options()
+        (currentOption->getKeyAndShortForm().c_str(),
+//            currentOption->hasDefaultValue() ?
+//                  po::value < RealSpaceMatrixValue >()->default_value(boost::lexical_cast<BoxValue>(currentOption->getDefaultValue().c_str())) :
+                  po::value < RealSpaceMatrixValue >(),
                   currentOption->getDescription().c_str())
         ;

src/UIElements/CommandLineUI/CommandLineParser_validate.cpp

@@ -84 +84 @@
 }
 
-void validate(boost::any& v, const std::vector<std::string>& values, BoxValue *, int)
+void validate(boost::any& v, const std::vector<std::string>& values, RealSpaceMatrixValue *, int)
 {
-  BoxValue BV;
+  RealSpaceMatrixValue RSMV;
   std::vector<std::string> components;
 
@@ -129 +129 @@
   }
   for (size_t i=0;i<(NDIM*(NDIM+1))/2; ++i)
-    BV.matrix[i] = boost::lexical_cast<double>(components.at(i));
-  v = boost::any(BoxValue(BV));
+    RSMV.matrix[i] = boost::lexical_cast<double>(components.at(i));
+  v = boost::any(RealSpaceMatrixValue(RSMV));
 }
 

src/UIElements/CommandLineUI/CommandLineParser_validate.hpp

@@ -22 +22 @@
 #include <boost/lexical_cast.hpp>
 
-class BoxValue;
+class RealSpaceMatrixValue;
 class VectorValue;
 
 void validate(boost::any& v, const std::vector<std::string>& values, VectorValue *, int);
-void validate(boost::any& v, const std::vector<std::string>& values, BoxValue *, int);
+void validate(boost::any& v, const std::vector<std::string>& values, RealSpaceMatrixValue *, int);
 void validate(boost::any& v, const std::vector<std::string>& values, boost::filesystem::path *, int);
 

src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp

@@ -129 +129 @@
 };
 
-class CommandLineDialog::BoxCommandLineQuery : public Dialog::BoxQuery {
+class CommandLineDialog::RealSpaceMatrixCommandLineQuery : public Dialog::RealSpaceMatrixQuery {
 public:
-  BoxCommandLineQuery(Parameter<Box> &param, std::string title, std::string _description = "");
-  virtual ~BoxCommandLineQuery();
+  RealSpaceMatrixCommandLineQuery(Parameter<RealSpaceMatrix> &param, std::string title, std::string _description = "");
+  virtual ~RealSpaceMatrixCommandLineQuery();
   virtual bool handle();
 };

src/UIElements/CommandLineUI/Query/RealSpaceMatrixCommandLineQuery.cpp

@@ -27 +27 @@
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 
-CommandLineDialog::BoxCommandLineQuery::BoxCommandLineQuery(Parameter<Box> &param, std::string title, std::string _description) :
-    Dialog::BoxQuery(param, title, _description)
+CommandLineDialog::RealSpaceMatrixCommandLineQuery::RealSpaceMatrixCommandLineQuery(Parameter<RealSpaceMatrix> &param, std::string title, std::string _description) :
+    Dialog::RealSpaceMatrixQuery(param, title, _description)
 {}
 
-CommandLineDialog::BoxCommandLineQuery::~BoxCommandLineQuery()
+CommandLineDialog::RealSpaceMatrixCommandLineQuery::~RealSpaceMatrixCommandLineQuery()
 {}
 
-bool CommandLineDialog::BoxCommandLineQuery::handle() {
-  BoxValue temp;
+bool CommandLineDialog::RealSpaceMatrixCommandLineQuery::handle() {
+  RealSpaceMatrixValue temp;
   if (CommandLineParser::getInstance().vm.count(getTitle())) {
-    temp = CommandLineParser::getInstance().vm[getTitle()].as< BoxValue >();
-    tmp.set(temp.toBox());
+    temp = CommandLineParser::getInstance().vm[getTitle()].as< RealSpaceMatrixValue >();
+    tmp.set(temp.toRealSpaceMatrix());
     return true;
   } else {

src/UIElements/CommandLineUI/TypeEnumContainer.cpp

@@ -31 +31 @@
 
 #include "Atom/atom.hpp"
-#include "Box.hpp"
 #include "LinearAlgebra/BoxVector.hpp"
+#include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
 #include "Element/element.hpp"
@@ -45 +45 @@
   TypeEnumMap[&typeid(void)] = NoneType;
   TypeEnumMap[&typeid(bool)] = BooleanType;
-  TypeEnumMap[&typeid(Box)] = BoxType;
+  TypeEnumMap[&typeid(RealSpaceMatrix)] = RealSpaceMatrixType;
   TypeEnumMap[&typeid(BoxVector)] = VectorType;
   TypeEnumMap[&typeid(Vector)] = VectorType;

src/UIElements/CommandLineUI/TypeEnumContainer.hpp

@@ -28 +28 @@
   enum EnumOfTypes { NoneType,
         BooleanType,
-        BoxType,
         FileType,
         ListOfFilesType,
@@ -47 +46 @@
         ElementType,
         ListOfElementsType,
-        RandomNumberDistribution_ParametersType
+        RandomNumberDistribution_ParametersType,
+        RealSpaceMatrixType
   };