Changeset 118f1e for src/Parser/MpqcParser_Parameters.cpp

Timestamp:

Jun 6, 2012, 1:04:21 PM (13 years ago)

Author:

Michael Ankele <ankele@…>

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:

b9c69d

Parents:

6c05d8

git-author:

Michael Ankele <ankele@…> (04/18/12 12:56:29)

git-committer:

Michael Ankele <ankele@…> (06/06/12 13:04:21)

Message:

ParameterStorage now uses ParameterAsString class

File:

• src/Parser/MpqcParser_Parameters.cpp (modified) (7 diffs)

src/Parser/MpqcParser_Parameters.cpp

@@ -27 +27 @@
 #include "MpqcParser_Parameters.hpp"
 
-#include "Parser/Parameters/ContinuousParameter.hpp"
-#include "Parser/Parameters/DiscreteParameter.hpp"
-#include "Parser/Parameters/StringParameter.hpp"
+#include "Parameters/Parameter.hpp"
 
 template <>
-const std::string ContinuousValue<bool>::get() const
+const std::string Value<bool>::getAsString() const
 {
   ASSERT(ValueSet,
-      "ContinuousValue<bool>::get() - requesting unset value.");
+      "Value<bool>::getAsString() - requesting unset value.");
   if (value)
     return std::string("yes");
@@ -43 +41 @@
 
 template <>
-void ContinuousValue<bool>::set(const std::string _value)
+void Value<bool>::setAsString(const std::string _value)
 {
   if (_value == std::string("yes")) {
-    setValue(true);
+    set(true);
   } else if (_value == std::string("no")) {
-    setValue(false);
+    set(false);
   } else {
     ASSERT(0,
-        "void ContinuousValue<bool>::set() - value "+_value+" is neither yes or no.");
+        "void Value<bool>::setAsString() - value "+_value+" is neither yes or no.");
   }
 }
@@ -92 +90 @@
     ValidTheories[MBPT2_R12]="MBPT2_R12";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[theoryParam],
             ValidTheories,
@@ -105 +103 @@
     ValidIntegrationMethods[IntegralCints] = "IntegralCints";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[integrationParam],
             ValidIntegrationMethods,
@@ -113 +111 @@
   // add all continuous parameters
   {
-    appendParameter(new ContinuousParameter<bool>(ParamNames[hessianParam], false));
-    appendParameter(new ContinuousParameter<bool>(ParamNames[savestateParam], false));
-    appendParameter(new ContinuousParameter<bool>(ParamNames[do_gradientParam], true));
-    appendParameter(new ContinuousParameter<int>(ParamNames[maxiterParam], 1000));
-    appendParameter(new ContinuousParameter<int>(ParamNames[memoryParam], 16000000));
-    appendParameter(new StringParameter(ParamNames[stdapproxParam], "A'"));
-    appendParameter(new ContinuousParameter<int>(ParamNames[nfzcParam], 1));
-    appendParameter(new StringParameter(ParamNames[basisParam], "3-21G"));
-    appendParameter(new StringParameter(ParamNames[aux_basisParam], "aug-cc-pVDZ"));
+    appendParameter(new Parameter<bool>(ParamNames[hessianParam], false));
+    appendParameter(new Parameter<bool>(ParamNames[savestateParam], false));
+    appendParameter(new Parameter<bool>(ParamNames[do_gradientParam], true));
+    appendParameter(new Parameter<int>(ParamNames[maxiterParam], 1000));
+    appendParameter(new Parameter<int>(ParamNames[memoryParam], 16000000));
+    appendParameter(new Parameter<std::string>(ParamNames[stdapproxParam], "A'"));
+    appendParameter(new Parameter<int>(ParamNames[nfzcParam], 1));
+    appendParameter(new Parameter<std::string>(ParamNames[basisParam], "3-21G"));
+    appendParameter(new Parameter<std::string>(ParamNames[aux_basisParam], "aug-cc-pVDZ"));
   }
 }
@@ -135 +133 @@
 const std::string MpqcParser_Parameters::getParameter(const enum Parameters param) const
 {
-  return FormatParser_Parameters::getParameter(ParamNames[param])->get();
+  return FormatParser_Parameters::getParameter(ParamNames[param])->getAsString();
 }
 
@@ -146 +144 @@
 {
   const std::string &name = getParameterName(param);
-  FormatParser_Parameters::getParameter(name)->set(_value);
+  FormatParser_Parameters::getParameter(name)->setAsString(_value);
 }