Changeset 33e801 for src

Timestamp:

Jun 11, 2015, 11:21:41 PM (10 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:

043598

Parents:

dd6c07

git-author:

Frederik Heber <heber@…> (05/17/15 04:22:43)

git-committer:

Frederik Heber <heber@…> (06/11/15 23:21:41)

Message:

Added ParameterPair (i.e. "key = value;") to allow other string output.

• this will solve the problem of vectors of key-value-pairs not properly converted into a single string because of missing semicolon.
• FIX: toCLIString used functions toPythonString if possible.

Location:

src

Files:

• Actions/Values.cpp (modified) (1 diff)
• Actions/Values.hpp (modified) (2 diffs)
• Actions/toCLIString.cpp (modified) (4 diffs)
• Actions/toCLIString.hpp (modified) (2 diffs)
• Actions/toPythonString.cpp (modified) (2 diffs)
• Actions/toPythonString.hpp (modified) (2 diffs)
• Actions/unittests/stubs/DummyUI.hpp (modified) (1 diff)
• Parameters/Makefile.am (modified) (1 diff)
• Parameters/Specifics/KeyValuePair.hpp (added)
• UIElements/CommandLineUI/CommandLineDialog.cpp (modified) (1 diff)
• UIElements/CommandLineUI/CommandLineDialog.hpp (modified) (2 diffs)
• UIElements/CommandLineUI/CommandLineParser.cpp (modified) (2 diffs)
• UIElements/CommandLineUI/CommandLineParser_validate.cpp (modified) (3 diffs)
• UIElements/CommandLineUI/CommandLineParser_validate.hpp (modified) (1 diff)
• UIElements/CommandLineUI/Query/CommandLineQuery.hpp (modified) (1 diff)
• UIElements/CommandLineUI/Query/KeyValuePairCommandLineQuery.cpp (added)
• UIElements/CommandLineUI/Query/KeyValuePairsCommandLineQuery.cpp (added)
• UIElements/CommandLineUI/TypeEnumContainer.cpp (modified) (2 diffs)
• UIElements/CommandLineUI/TypeEnumContainer.hpp (modified) (1 diff)
• UIElements/Dialog.cpp (modified) (1 diff)
• UIElements/Dialog.hpp (modified) (3 diffs)
• UIElements/Makefile.am (modified) (3 diffs)
• UIElements/Qt4/QtDialog.cpp (modified) (1 diff)
• UIElements/Qt4/QtDialog.hpp (modified) (2 diffs)
• UIElements/Qt4/Query/KeyValuePairQtQuery.cpp (added)
• UIElements/Qt4/Query/KeyValuePairsQtQuery.cpp (added)
• UIElements/Qt4/Query/QtQuery.hpp (modified) (2 diffs)
• UIElements/Qt4/Query/QtQueryList.hpp (modified) (1 diff)
• UIElements/TextUI/Query/KeyValuePairTextQuery.cpp (added)
• UIElements/TextUI/Query/KeyValuePairsTextQuery.cpp (added)
• UIElements/TextUI/Query/TextQuery.hpp (modified) (1 diff)
• UIElements/TextUI/TextDialog.cpp (modified) (1 diff)
• UIElements/TextUI/TextDialog.hpp (modified) (3 diffs)

src/Actions/Values.cpp

@@ -37 +37 @@
 #include "CodePatterns/Assert.hpp"
 
+#include "Box.hpp"
 #include "LinearAlgebra/BoxVector.hpp"
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "Box.hpp"
 
 #include "Values.hpp"

src/Actions/Values.hpp

@@ -15 +15 @@
 
 #include "LinearAlgebra/defs.hpp"
+
+#include <string>
 
 class Box;
@@ -45 +47 @@
 };
 
+#endif /* VALUES_HPP_ */
 
-#endif /* VALUES_HPP_ */

src/Actions/toCLIString.cpp

@@ -40 +40 @@
 #include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
+#include "Parameters/Specifics/KeyValuePair.hpp"
+
+#include "Actions/toPythonString.hpp"
 
 template <>
@@ -65 +68 @@
     << _value.at(2,0) << ","
     << _value.at(2,1) << ","
-    << _value.at(2,2) << "\"";
+    << _value.at(2,2)
+    << "\"";
   return output.str();
 }
@@ -73 +77 @@
 {
   std::stringstream output;
-  output << "\"" << _value[0] << "," << _value[1] << "," << _value[2] << "\"";
+  output << "\"" << toPythonString(_value) << "\"";
   return output.str();
 }
@@ -84 +88 @@
   return output.str();
 }
+
+template <>
+const std::string toCLIString( const KeyValuePair& _value)
+{
+  std::stringstream output;
+  output << "\"" << toPythonString(_value) << "\"";
+  return output.str();
+}

src/Actions/toCLIString.hpp

@@ -21 +21 @@
 
 class element;
+struct KeyValuePair;
 class RealSpaceMatrix;
 class Vector;
@@ -77 +78 @@
 template <> const std::string toCLIString( const std::string& _value);
 
+template <> const std::string toCLIString( const KeyValuePair& _value);
+
 #endif /* TOCLISTRING_HPP_ */

src/Actions/toPythonString.cpp

@@ -41 +41 @@
 #include "LinearAlgebra/Vector.hpp"
 
+#include "Parameters/Specifics/KeyValuePair.hpp"
+
 template <>
 const std::string toPythonString( const boost::filesystem::path & _value)
@@ -52 +54 @@
   std::stringstream output;
   output << _value.getAtomicNumber();
+  return output.str();
+}
+
+template <>
+const std::string toPythonString( const KeyValuePair & _value)
+{
+  std::stringstream output;
+  const char semicolon(';');
+  const size_t semicolon_pos = _value.find_last_of(semicolon, std::string::npos);
+  const size_t final_equality_pos = _value.find('=', semicolon_pos);
+  output << _value;
+  if ((semicolon_pos == std::string::npos)
+      || (final_equality_pos != std::string::npos))
+    output << semicolon;
   return output.str();
 }

src/Actions/toPythonString.hpp

@@ -21 +21 @@
 
 class element;
+struct KeyValuePair;
 class RealSpaceMatrix;
 class Vector;
@@ -71 +72 @@
 template <> const std::string toPythonString( const boost::filesystem::path & _value);
 
+template <> const std::string toPythonString( const KeyValuePair& _value);
+
 template <> const std::string toPythonString( const RealSpaceMatrix& _value);
 

src/Actions/unittests/stubs/DummyUI.hpp

@@ -47 +47 @@
   virtual void queryFile(Parameter<boost::filesystem::path> &, const std::string ="", const std::string = ""){};
   virtual void queryFiles(Parameter< std::vector<boost::filesystem::path> > &, const std::string ="", const std::string = ""){};
+  virtual void queryKeyValuePair(Parameter<KeyValuePair> &, const std::string ="", const std::string = ""){};
+  virtual void queryKeyValuePairs(Parameter<std::vector<KeyValuePair> > &, const std::string ="", const std::string = ""){};
 };
 

src/Parameters/Makefile.am

@@ -43 +43 @@
         Parameters/ValueAsString.hpp \
         Parameters/ValueInterface.hpp \
+        Parameters/Specifics/KeyValuePair.hpp \
         Parameters/Specifics/Value_atom.hpp \
         Parameters/Specifics/Value_element.hpp \

src/UIElements/CommandLineUI/CommandLineDialog.cpp

@@ -136 +136 @@
 }
 
+void CommandLineDialog::queryKeyValuePair(Parameter<KeyValuePair> &param, const std::string title, const std::string description)
+{
+  registerQuery(new KeyValuePairCommandLineQuery(param, title,description));
+}
+
+void CommandLineDialog::queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &param, const std::string title, const std::string description)
+{
+  registerQuery(new KeyValuePairsCommandLineQuery(param, title,description));
+}
+
 /************************** Query Infrastructure ************************/
 /*       ---> shifted to folder Query                                   */

src/UIElements/CommandLineUI/CommandLineDialog.hpp

@@ -54 +54 @@
   virtual void queryFile(Parameter<boost::filesystem::path> &, const std::string ="", const std::string = "");
   virtual void queryFiles(Parameter<std::vector< boost::filesystem::path> > &, const std::string ="", const std::string = "");
+  virtual void queryKeyValuePair(Parameter<KeyValuePair> &, const std::string ="", const std::string = "");
+  virtual void queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &, const std::string ="", const std::string = "");
+
   // specialized stuff for command line queries
   // all placed into Query/CommandLineQuery.hpp
   // !please adhere to alphabetical ordering!
+
   class AtomCommandLineQuery;
   class AtomsCommandLineQuery;
@@ -69 +73 @@
   class IntCommandLineQuery;
   class IntsCommandLineQuery;
+  class KeyValuePairCommandLineQuery;
+  class KeyValuePairsCommandLineQuery;
   class MoleculeCommandLineQuery;
   class MoleculesCommandLineQuery;

src/UIElements/CommandLineUI/CommandLineParser.cpp

@@ -52 +52 @@
 #include "CommandLineParser.hpp"
 #include "CommandLineParser_validate.hpp"
+#include "Parameters/Specifics/KeyValuePair.hpp"
 #include "World.hpp"
 
@@ -408 +409 @@
 //                  po::value < RealSpaceMatrixValue >()->default_value(boost::lexical_cast<BoxValue>(currentOption->getDefaultValue().c_str())) :
                   po::value < RealSpaceMatrixValue >(),
+                  currentOption->getDescription().c_str())
+        ;
+      break;
+    case TypeEnumContainer::KeyValueType:
+      OptionList->add_options()
+        (currentOption->getKeyAndShortForm().c_str(),
+            currentOption->hasDefaultValue() ?
+                  (_DefaultAsImplicit ?
+                      po::value < KeyValuePair >()->implicit_value(boost::lexical_cast< KeyValuePair >(currentOption->getDefaultValue().c_str())) :
+                      po::value < KeyValuePair >()->default_value(boost::lexical_cast< KeyValuePair >(currentOption->getDefaultValue().c_str()))) :
+                  po::value < KeyValuePair >(),
+                  currentOption->getDescription().c_str())
+        ;
+      break;
+    case TypeEnumContainer::ListOfKeyValuesType:
+      OptionList->add_options()
+        (currentOption->getKeyAndShortForm().c_str(),
+//            currentOption->hasDefaultValue() ?
+//                  po::value < std::vector<KeyValuePair> >()->default_value(boost::lexical_cast< std::vector<KeyValuePair> >(currentOption->getDefaultValue().c_str())) :
+                  po::value < std::vector<KeyValuePair> >()->multitoken(),
                   currentOption->getDescription().c_str())
         ;

src/UIElements/CommandLineUI/CommandLineParser_validate.cpp

@@ -42 +42 @@
 #include "Actions/Values.hpp"
 #include "CommandLineParser_validate.hpp"
+#include "Parameters/Specifics/KeyValuePair.hpp"
 
 /** boost::program_options validator specialization for VectorValue.
@@ -157 +158 @@
 void validate(boost::any& v, const std::vector<std::string>& values, boost::filesystem::path *, int)
 {
-  boost::filesystem::path filename;
-
-  std::cerr << "boost::filesystem::path validator used." << std::endl;
+//  std::cerr << "boost::filesystem::path validator used." << std::endl;
+
+  // Make sure no previous assignment to 'a' was made.
+  boost::program_options::validators::check_first_occurrence(v);
+  // Extract the first string from 'values'. If there is more than
+  // one string, it's an error, and exception will be thrown.
+  const std::string& s = boost::program_options::validators::get_single_string(values);
+
+  v = boost::any(boost::filesystem::path(s));
+}
+
+/** boost::program_options validator specialization for boost::filesystem::path.
+ * \param &v  reference for return value
+ * \param &values string vector of scanned options
+ * \param *
+ * \param
+ *
+ */
+void validate(boost::any& v, const std::vector<std::string>& values, KeyValuePair *, int)
+{
+//  std::cerr << "KeyValuePair validator used." << std::endl;
+
+  // Make sure no previous assignment to 'a' was made.
+  boost::program_options::validators::check_first_occurrence(v);
+  // Extract the first string from 'values'. If there is more than
+  // one string, it's an error, and exception will be thrown.
+  const std::string& s = boost::program_options::validators::get_single_string(values);
+
+  if (s.find("=") == std::string::npos) {
+#if BOOST_VERSION < 104200
+    throw boost::program_options::validation_error("Invalid KeyValue given");
+#else
+throw boost::program_options::validation_error(
+    boost::program_options::validation_error::invalid_option_value,
+    std::string("value"),
+    std::string("vector<KeyValuePair>")
+    );
+#endif
+  }
+  v = boost::any(KeyValuePair(s));
+}
+
+/** boost::program_options validator specialization for boost::filesystem::path.
+ * \param &v  reference for return value
+ * \param &values string vector of scanned options
+ * \param *
+ * \param
+ *
+ */
+void validate(boost::any& v, const std::vector<std::string>& values, std::vector<KeyValuePair> *, int)
+{
+//  std::cerr << "vector<KeyValuePair> validator used." << std::endl;
 
   // split comma-separated values
-  if (values.size() != 1) {
-    std::cerr <<  "Not one file but " << values.size() << " given " << std::endl;
+  if (values.size() > 1) {
 #if BOOST_VERSION < 104200
     throw boost::program_options::validation_error("Unequal to one file given");
@@ -171 +220 @@
           boost::program_options::validation_error::at_least_one_value_required,
           std::string("value"),
-          std::string("boost::filesystem::path")
-      );
-    } else {
-      throw boost::program_options::validation_error(
-          boost::program_options::validation_error::multiple_values_not_allowed,
-          std::string("value"),
-          std::string("boost::filesystem::path")
+          std::string("vector<KeyValuePair>")
       );
     }
 #endif
-  }
-  filename = values.at(0);
-  v = boost::any(boost::filesystem::path(filename));
-}
-
+    for (std::vector<std::string>::const_iterator iter = values.begin();
+        iter != values.end();++iter)
+      if ((*iter).find("=") == std::string::npos) {
+#if BOOST_VERSION < 104200
+    throw boost::program_options::validation_error("Invalid KeyValue given");
+#else
+    throw boost::program_options::validation_error(
+        boost::program_options::validation_error::invalid_option_value,
+        std::string("value"),
+        std::string("vector<KeyValuePair>")
+    );
+#endif
+      }
+  }
+  std::vector<KeyValuePair> temp;
+  for (std::vector<std::string>::const_iterator iter = values.begin();
+      iter != values.end();++iter)
+    temp.push_back(KeyValuePair(*iter));
+  v = boost::any(temp);
+}

src/UIElements/CommandLineUI/CommandLineParser_validate.hpp

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

src/UIElements/CommandLineUI/Query/CommandLineQuery.hpp

@@ -164 +164 @@
 };
 
+class CommandLineDialog::KeyValuePairCommandLineQuery : public Dialog::TQuery<KeyValuePair> {
+public:
+  KeyValuePairCommandLineQuery(Parameter<KeyValuePair> &_param, const std::string &_title, const std::string &_description = "");
+  virtual ~KeyValuePairCommandLineQuery();
+  virtual bool handle();
+};
+
+class CommandLineDialog::KeyValuePairsCommandLineQuery : public Dialog::TQuery<std::vector<KeyValuePair> > {
+public:
+  KeyValuePairsCommandLineQuery(Parameter<std::vector<KeyValuePair> > &_param, const std::string &_title, const std::string &_description = "");
+  virtual ~KeyValuePairsCommandLineQuery();
+  virtual bool handle();
+};
+
 #endif /* COMMANDLINEQUERY_HPP_ */

src/UIElements/CommandLineUI/TypeEnumContainer.cpp

@@ -51 +51 @@
 #include "Element/element.hpp"
 #include "molecule.hpp"
+#include "Parameters/Specifics/KeyValuePair.hpp"
 #include "RandomNumbers/RandomNumberDistribution_Parameters.hpp"
 
@@ -81 +82 @@
   TypeEnumMap[&typeid(const element *)] = ElementType;
   TypeEnumMap[&typeid(std::vector<const element *>)] = ListOfElementsType;
+  TypeEnumMap[&typeid(KeyValuePair)] = KeyValueType;
+  TypeEnumMap[&typeid(std::vector<KeyValuePair>)] = ListOfKeyValuesType;
 
   // for debugging: list all stored types

src/UIElements/CommandLineUI/TypeEnumContainer.hpp

@@ -46 +46 @@
         ElementType,
         ListOfElementsType,
-        RealSpaceMatrixType
+        RealSpaceMatrixType,
+        KeyValueType,
+        ListOfKeyValuesType
   };
 

src/UIElements/Dialog.cpp

@@ -235 +235 @@
 }
 
+template <> void Dialog::query< KeyValuePair >(Parameter<KeyValuePair> &param, const std::string title, const std::string description)
+{
+  queryKeyValuePair(param, title, description);
+}
+
+template <> void Dialog::query< std::vector<KeyValuePair> >(Parameter< std::vector<KeyValuePair> > &param, const std::string title, const std::string description)
+{
+  queryKeyValuePairs(param, title, description);
+}
+
 /************************** Query Infrastructure ************************/
 /*       ---> shifted to folder Query                                   */

src/UIElements/Dialog.hpp

@@ -23 +23 @@
 #include "LinearAlgebra/Vector.hpp"
 #include "Parameters/Parameter.hpp"
+#include "Parameters/Specifics/KeyValuePair.hpp"
 
 class atom;
@@ -28 +29 @@
 class element;
 class molecule;
-
 
 /** Dialog is one of the two main classes of the UIFactory base class.
@@ -178 +178 @@
   virtual void queryFile(Parameter<boost::filesystem::path> &, const std::string ="", const std::string = "")=0;
   virtual void queryFiles(Parameter< std::vector<boost::filesystem::path> > &, const std::string ="", const std::string = "")=0;
+  virtual void queryKeyValuePair(Parameter<KeyValuePair> &, const std::string ="", const std::string = "")=0;
+  virtual void queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &, const std::string ="", const std::string = "")=0;
 
   virtual bool display();

src/UIElements/Makefile.am

@@ -18 +18 @@
   UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp \
   UIElements/CommandLineUI/Query/MoleculesCommandLineQuery.cpp \
+  UIElements/CommandLineUI/Query/KeyValuePairCommandLineQuery.cpp \
+  UIElements/CommandLineUI/Query/KeyValuePairsCommandLineQuery.cpp \
   UIElements/CommandLineUI/Query/RealSpaceMatrixCommandLineQuery.cpp \
   UIElements/CommandLineUI/Query/StringCommandLineQuery.cpp \
@@ -89 +91 @@
   UIElements/TextUI/Query/MoleculesTextQuery.cpp \
   UIElements/TextUI/Query/MoleculeTextQuery.cpp \
+  UIElements/TextUI/Query/KeyValuePairTextQuery.cpp \
+  UIElements/TextUI/Query/KeyValuePairsTextQuery.cpp \
   UIElements/TextUI/Query/RealSpaceMatrixTextQuery.cpp \
   UIElements/TextUI/Query/StringTextQuery.cpp \
@@ -154 +158 @@
   UIElements/Qt4/Query/MoleculesQtQuery.cpp \
   UIElements/Qt4/Query/QtQueryList.cpp \
+  UIElements/Qt4/Query/KeyValuePairQtQuery.cpp \
+  UIElements/Qt4/Query/KeyValuePairsQtQuery.cpp \
   UIElements/Qt4/Query/RealSpaceMatrixQtQuery.cpp \
   UIElements/Qt4/Query/StringQtQuery.cpp \

src/UIElements/Qt4/QtDialog.cpp

@@ -197 +197 @@
 }
 
+void QtDialog::queryKeyValuePair(Parameter<KeyValuePair> &param, const std::string title, const std::string description)
+{
+  registerQuery(new KeyValuePairQtQuery(param, title,description,inputLayout,this));
+}
+
+void QtDialog::queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &param, const std::string title, const std::string description)
+{
+  registerQuery(new KeyValuePairsQtQuery(param, title,description,inputLayout,this));
+}
+
 /************************** Query Infrastructure ************************/
 /*       ---> shifted to folder Query                                   */

src/UIElements/Qt4/QtDialog.hpp

@@ -55 +55 @@
   virtual void queryFile(Parameter<boost::filesystem::path> &, const std::string ="", const std::string = "");
   virtual void queryFiles(Parameter<std::vector< boost::filesystem::path> > &, const std::string ="", const std::string = "");
+  virtual void queryKeyValuePair(Parameter<KeyValuePair> &, const std::string ="", const std::string = "");
+  virtual void queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &, const std::string ="", const std::string = "");
 
   virtual bool display();
@@ -74 +76 @@
   class IntQtQuery;
   class IntsQtQuery;
+  class KeyValuePairQtQuery;
+  class KeyValuePairsQtQuery;
   class MoleculeQtQuery;
   class MoleculesQtQuery;

src/UIElements/Qt4/Query/QtQuery.hpp

@@ -17 +17 @@
 #include <Qt/qwidget.h>
 #include "Qt4/QtDialog.hpp"
+#include "QtQueryList.hpp"
+
 #include "Parameters/Parameter.hpp"
-#include "QtQueryList.hpp"
 
 class QHBoxLayout;
@@ -300 +301 @@
 };
 
+class QtDialog::KeyValuePairQtQuery : public QWidget, public QtQuery<KeyValuePair> {
+  Q_OBJECT
+public:
+  KeyValuePairQtQuery(Parameter<KeyValuePair> &, const std::string &_title, const std::string &description, QBoxLayout *_parent,Dialog *_dialog);
+  virtual ~KeyValuePairQtQuery();
+
+public slots:
+  void onUpdate(const QString&);
+  void onUpdateCombo(int index);
+
+private:
+  QBoxLayout *parent;
+  QBoxLayout *thisLayout;
+  QLabel *titleLabel;
+  QLineEdit *inputBox;
+  QComboBox *comboBox;
+  Dialog *dialog;
+};
+
+class QtDialog::KeyValuePairsQtQuery : public QWidget, public QtQuery<std::vector<KeyValuePair> >, public QtQueryList<KeyValuePair> {
+  Q_OBJECT
+public:
+  KeyValuePairsQtQuery(Parameter<std::vector<KeyValuePair> > &, const std::string &_title, const std::string &description, QBoxLayout *_parent,Dialog *_dialog);
+  virtual ~KeyValuePairsQtQuery();
+
+  virtual void onSubUpdate();
+
+public slots:
+  void onAddElement();
+  void onRemoveElement();
+  void onElementSelected();
+
+private:
+  KeyValuePairQtQuery *subQuery;
+};
+
 class QtDialog::StringQtQuery : public QWidget, public QtQuery<std::string> {
   Q_OBJECT

src/UIElements/Qt4/Query/QtQueryList.hpp

@@ -142 +142 @@
   virtual void queryFile(Parameter<boost::filesystem::path> &, const std::string = "", const std::string = ""){}
   virtual void queryFiles(Parameter<std::vector< boost::filesystem::path> > &, const std::string = "", const std::string = ""){}
+  virtual void queryKeyValuePair(Parameter<KeyValuePair> &, const std::string = "", const std::string = ""){}
+  virtual void queryKeyValuePairs(Parameter<std::vector<KeyValuePair> > &, const std::string = "", const std::string = ""){}
+
 private:
   QtQueryListUntyped *parent;

src/UIElements/TextUI/Query/TextQuery.hpp

@@ -108 +108 @@
 };
 
+class TextDialog::KeyValuePairTextQuery : public Dialog::TQuery<KeyValuePair> {
+public:
+  KeyValuePairTextQuery(Parameter<KeyValuePair> &, const std::string &_title, const std::string &_description = NULL);
+  virtual ~KeyValuePairTextQuery();
+  virtual bool handle();
+};
+
+class TextDialog::KeyValuePairsTextQuery : public Dialog::TQuery<std::vector<KeyValuePair> > {
+public:
+  KeyValuePairsTextQuery(Parameter<std::vector<KeyValuePair> > &, const std::string &_title, const std::string &_description = NULL);
+  virtual ~KeyValuePairsTextQuery();
+  virtual bool handle();
+};
+
 class TextDialog::MoleculeTextQuery : public Dialog::TQuery<const molecule *> {
 public:

src/UIElements/TextUI/TextDialog.cpp

@@ -134 +134 @@
 }
 
+void TextDialog::queryKeyValuePair(Parameter<KeyValuePair> &param, const std::string title, const std::string description)
+{
+  registerQuery(new KeyValuePairTextQuery(param, title,description));
+}
+
+void TextDialog::queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &param, const std::string title, const std::string description)
+{
+  registerQuery(new KeyValuePairsTextQuery(param, title,description));
+}
+
 /************************** Query Infrastructure ************************/
 /*       ---> shifted to folder Query                                   */

src/UIElements/TextUI/TextDialog.hpp

@@ -22 +22 @@
 class element;
 class molecule;
+class KeyValuePair;
 class RealSpaceMatrix;
 class Vector;
@@ -52 +53 @@
   virtual void queryFile(Parameter<boost::filesystem::path> &, const std::string ="", const std::string = "");
   virtual void queryFiles(Parameter<std::vector<boost::filesystem::path> > &, const std::string ="", const std::string = "");
+  virtual void queryKeyValuePair(Parameter<KeyValuePair> &, const std::string ="", const std::string = "");
+  virtual void queryKeyValuePairs(Parameter< std::vector<KeyValuePair> > &, const std::string ="", const std::string = "");
 
 protected:
@@ -69 +72 @@
   class IntTextQuery;
   class IntsTextQuery;
+  class KeyValuePairTextQuery;
+  class KeyValuePairsTextQuery;
   class MoleculeTextQuery;
   class MoleculesTextQuery;