Changeset 765f16 for src/Actions/ParserAction/SetMpqcParametersAction.cpp

Timestamp:

Oct 14, 2011, 3:15:30 PM (14 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:

d3d6c6

Parents:

9a6b76e

git-author:

Frederik Heber <heber@…> (09/27/11 19:04:36)

git-committer:

Frederik Heber <heber@…> (10/14/11 15:15:30)

Message:

Huge Refactoring of FormatParserStorage and all FormatParser's.

FormatParser:

• FormatParser is now a template, specialized by enum ParserTypes.
• new struct FormatParserTrait is as well a template of same type, containing parser-specific information in static entities.
• all FormatParsers are now specializations of this FormatParser.
• all Parsers can be accessed in a unified manner, given in the new class FormatParserInterface.
• common functions are placed in FormatParser_common.hpp as one cannot partially specialize a function class.
• some boost preprocessor magic is used in ParserTypes and FormatParserTraits to define the template specialization or to create the ParserTypes enumeration.

FormatParserStorage:

• We construct all lookup tables and alikes via boost preprocessor magic from a list of all available parser (enums).
• we use the templated getParser() and addParser() functions to serve parsers to the outside. Instances are as usual created only once.

Tests:

• tests only had to be changed because of the "renaming" of the Parsers.

File:

• src/Actions/ParserAction/SetMpqcParametersAction.cpp (modified) (3 diffs)

src/Actions/ParserAction/SetMpqcParametersAction.cpp

@@ -38 +38 @@
 /** =========== define the function ====================== */
 Action::state_ptr ParserSetMpqcParametersAction::performCall() {
-  MpqcParser_Parameters &mpqc = FormatParserStorage::getInstance().getParser<MpqcParser>().getParams();
+  MpqcParser_Parameters &parser = FormatParserStorage::getInstance().getParser<mpqc>().getParams();
 
   std::stringstream oldparamstream;
-  oldparamstream << mpqc;
+  oldparamstream << parser;
   // obtain information
   getParametersfromValueStorage();
   std::stringstream newparamstream(params.newparams);
-  newparamstream >> mpqc;
+  newparamstream >> parser;
 
   return Action::state_ptr(new ParserSetMpqcParametersState(oldparamstream.str(), params));
@@ -53 +53 @@
   ParserSetMpqcParametersState *state = assert_cast<ParserSetMpqcParametersState*>(_state.get());
 
-  MpqcParser_Parameters &mpqc = FormatParserStorage::getInstance().getParser<MpqcParser>().getParams();
+  MpqcParser_Parameters &parser = FormatParserStorage::getInstance().getParser<mpqc>().getParams();
   std::stringstream oldparamstream(state->oldparams);
-  oldparamstream >> mpqc;
+  oldparamstream >> parser;
 
   return Action::state_ptr(_state);
@@ -63 +63 @@
   ParserSetMpqcParametersState *state = assert_cast<ParserSetMpqcParametersState*>(_state.get());
 
-  MpqcParser_Parameters &mpqc = FormatParserStorage::getInstance().getParser<MpqcParser>().getParams();
+  MpqcParser_Parameters &parser = FormatParserStorage::getInstance().getParser<mpqc>().getParams();
   std::stringstream newparamstream(state->params.newparams);
-  newparamstream >> mpqc;
+  newparamstream >> parser;
 
   return Action::state_ptr(_state);