Changeset 33e801 for src/Actions

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/Actions

Files:

• Values.cpp (modified) (1 diff)
• Values.hpp (modified) (2 diffs)
• toCLIString.cpp (modified) (4 diffs)
• toCLIString.hpp (modified) (2 diffs)
• toPythonString.cpp (modified) (2 diffs)
• toPythonString.hpp (modified) (2 diffs)
• unittests/stubs/DummyUI.hpp (modified) (1 diff)

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 = ""){};
 };