Changeset f8bccc for src/Parameters

Timestamp:

Sep 11, 2014, 7:20:26 AM (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:

0ac3e3

Parents:

0741f4d

git-author:

Frederik Heber <heber@…> (09/10/14 22:12:17)

git-committer:

Frederik Heber <heber@…> (09/11/14 07:20:26)

Message:

FIX: QtQueryList now works with pointers, FileQtQuery gives name of file.

• FileQtQuery always said "input-file:" which becomes ambigious when multiple files are queried in a single dialog.
• Value_string was a specialization for string type. This was used to also specialize for element type (and also for atom and molecule type).
• This automatically fixes problems where QtQueryList would show memory addresses in the list instead of e.g. element names. This occurs because toString() is used on the pointer, now getName() is called.

Location:

src/Parameters

Files:

• Makefile.am (modified) (4 diffs)
• Specifics/Value_atom.cpp (added)
• Specifics/Value_atom.hpp (added)
• Specifics/Value_element.cpp (added)
• Specifics/Value_element.hpp (added)
• Specifics/Value_molecule.cpp (added)
• Specifics/Value_molecule.hpp (added)
• Specifics/Value_string.cpp (moved) (moved from src/Parameters/Value_string.cpp ) (1 diff)
• Specifics/Value_string.hpp (moved) (moved from src/Parameters/Value_string.hpp ) (1 diff)
• Value.hpp (modified) (1 diff)

src/Parameters/Makefile.am

@@ -4 +4 @@
 
 PARAMETERSOURCE = \
+        Parameters/Specifics/Value_atom.cpp \
+        Parameters/Specifics/Value_element.cpp \
+        Parameters/Specifics/Value_molecule.cpp \
+        Parameters/Specifics/Value_string.cpp \
         Parameters/Validators/Specific/ActionNameValidator.cpp \
         Parameters/Validators/Specific/AtomDataValidator.cpp \
@@ -26 +30 @@
         Parameters/Validators/Specific/VectorNotZeroValidator.cpp \
         Parameters/Validators/Specific/VectorPositiveComponentsValidator.cpp \
-        Parameters/Validators/Specific/VectorZeroOneComponentsValidator.cpp \
-        Parameters/Value_string.cpp
+        Parameters/Validators/Specific/VectorZeroOneComponentsValidator.cpp
 
 PARAMETERHEADER = \
@@ -34 +37 @@
         Parameters/ParameterInterface.hpp \
         Parameters/StreamOperators.hpp \
+        Parameters/ContinuousValue.hpp \
+        Parameters/ContinuousValue_impl.hpp \
+        Parameters/Value.hpp \
+        Parameters/Value_impl.hpp \
+        Parameters/ValueAsString.hpp \
+        Parameters/ValueInterface.hpp \
+        Parameters/Specifics/Value_atom.hpp \
+        Parameters/Specifics/Value_element.hpp \
+        Parameters/Specifics/Value_molecule.hpp \
+        Parameters/Specifics/Value_string.hpp \
         Parameters/Validators/DiscreteValidator.hpp \
         Parameters/Validators/DiscreteValidator_impl.hpp \
@@ -73 +86 @@
         Parameters/Validators/Specific/VectorNotZeroValidator.hpp \
         Parameters/Validators/Specific/VectorPositiveComponentsValidator.hpp \
-        Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp \
-        Parameters/ContinuousValue.hpp \
-        Parameters/ContinuousValue_impl.hpp \
-        Parameters/Value.hpp \
-        Parameters/Value_impl.hpp \
-        Parameters/Value_string.hpp \
-        Parameters/ValueAsString.hpp \
-        Parameters/ValueInterface.hpp
+        Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp
 
 if CONDLEVMAR

src/Parameters/Specifics/Value_string.cpp

@@ -44 +44 @@
 
 template <>
+const std::string Value<std::string>::getAsString() const throw(ParameterValueException)
+{
+  return get();
+}
+
+template <>
 void Value<std::string>::setAsString(const std::string &_value) throw(ParameterException)
 {

src/Parameters/Specifics/Value_string.hpp

@@ -22 +22 @@
 
 template <>
+const std::string Value<std::string>::getAsString() const throw(ParameterValueException);
+
+template <>
 void Value<std::string>::setAsString(const std::string &_value) throw(ParameterException);
 

src/Parameters/Value.hpp

@@ -119 +119 @@
 #include "Value_impl.hpp"
 
-#include "Value_string.hpp"
+#include "Specifics/Value_atom.hpp"
+#include "Specifics/Value_element.hpp"
+#include "Specifics/Value_molecule.hpp"
+#include "Specifics/Value_string.hpp"
 
 #endif /* VALUE_HPP_ */