Changeset 118f1e for src/Parser/Psi3Parser_Parameters.cpp

Timestamp:

Jun 6, 2012, 1:04:21 PM (14 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, Candidate_v1.7.0, Candidate_v1.7.1, 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/Psi3Parser_Parameters.cpp (modified) (12 diffs)

src/Parser/Psi3Parser_Parameters.cpp

@@ -29 +29 @@
 #include "Psi3Parser_Parameters.hpp"
 
-#include "Parser/Parameters/ContinuousParameter.hpp"
-#include "Parser/Parameters/DiscreteParameter.hpp"
-#include "Parser/Parameters/StringParameter.hpp"
-
-// TODO: ContinuousValue<bool>::get() must be defined inline otherwise we get multiple definition of virtual thunk compilation errors
+#include "Parameters/Parameter.hpp"
+
+// TODO: Value<bool>::getAsString() must be defined inline otherwise we get multiple definition of virtual thunk compilation errors
 template <>
-inline const std::string ContinuousValue<bool>::get() const
+inline 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");
@@ -45 +43 @@
 }
 
-// TODO: ContinuousValue<bool>::set must be defined inline otherwise we get multiple definition of virtual thunk compilation errors
+// TODO: Value<bool>::setAsString must be defined inline otherwise we get multiple definition of virtual thunk compilation errors
 template <>
-inline void ContinuousValue<bool>::set(const std::string _value)
+inline 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,
@@ -103 +101 @@
     ValidFreezeCore[LARGE]="large";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[freeze_coreParam],
             ValidFreezeCore,
@@ -116 +114 @@
     ValidUnits[bohr]="bohr";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[unitsParam],
             ValidUnits,
@@ -128 +126 @@
     ValidDerivativeType[NONE]="none";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[dertypeParam],
             ValidDerivativeType,
@@ -142 +140 @@
     ValidUniqueAxis[Z]="z";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[unique_axisParam],
             ValidUniqueAxis,
@@ -160 +158 @@
     ValidJobtypes[RESPONSE]="response";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[jobtypeParam],
             ValidJobtypes,
@@ -184 +182 @@
     ValidWavefunction[ZAPTN]="zaptn";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[wavefunctionParam],
             ValidWavefunction,
@@ -199 +197 @@
     ValidReference[TWOCON]="twocon";
     appendParameter(
-        new DiscreteParameter<std::string>(
+        new Parameter<std::string>(
             ParamNames[referenceParam],
             ValidReference,
@@ -207 +205 @@
   // add all continuous parameters
   {
-    appendParameter(new StringParameter(ParamNames[labelParam], std::string("unknown job")));
-    appendParameter(new ContinuousParameter<int>(ParamNames[maxiterParam], 80));
-    appendParameter(new StringParameter(ParamNames[basisParam], std::string("cc-pVTZ")));
-    appendParameter(new StringParameter(ParamNames[originParam], std::string("(0.0\t0.0\t0.0)"))); // TODO: this should be a vector
-    appendParameter(new ContinuousParameter<int>(ParamNames[multiplicityParam], 1));
-    appendParameter(new ContinuousParameter<int>(ParamNames[chargeParam], 0));
-    appendParameter(new StringParameter(ParamNames[soccParam], std::string("()")));
-    appendParameter(new StringParameter(ParamNames[doccParam], std::string("()")));
-    appendParameter(new StringParameter(ParamNames[subgroupParam], std::string("")));
+    appendParameter(new Parameter<string>(ParamNames[labelParam], std::string("unknown job")));
+    appendParameter(new Parameter<int>(ParamNames[maxiterParam], 80));
+    appendParameter(new Parameter<string>(ParamNames[basisParam], std::string("cc-pVTZ")));
+    appendParameter(new Parameter<string>(ParamNames[originParam], std::string("(0.0\t0.0\t0.0)"))); // TODO: this should be a vector
+    appendParameter(new Parameter<int>(ParamNames[multiplicityParam], 1));
+    appendParameter(new Parameter<int>(ParamNames[chargeParam], 0));
+    appendParameter(new Parameter<string>(ParamNames[soccParam], std::string("()")));
+    appendParameter(new Parameter<string>(ParamNames[doccParam], std::string("()")));
+    appendParameter(new Parameter<string>(ParamNames[subgroupParam], std::string("")));
  }
 }
@@ -229 +227 @@
 const std::string Psi3Parser_Parameters::getParameter(const enum Parameters param) const
 {
-  return FormatParser_Parameters::getParameter(ParamNames[param])->get();
+  return FormatParser_Parameters::getParameter(ParamNames[param])->getAsString();
 }
 
@@ -240 +238 @@
 {
   const std::string &name = getParameterName(param);
-  FormatParser_Parameters::getParameter(name)->set(_value);
+  FormatParser_Parameters::getParameter(name)->setAsString(_value);
 }