Changeset e114e3

Timestamp:

Oct 14, 2011, 3:09:46 PM (13 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:

6d0f058

Parents:

db67ea

git-author:

Frederik Heber <heber@…> (09/27/11 09:34:19)

git-committer:

Frederik Heber <heber@…> (10/14/11 15:09:46)

Message:

FormatParserStorage::add...() and ::get...() now use internally the templated functions.

Location:

src/Parser

Files:

• FormatParserStorage.cpp (modified) (3 diffs)
• FormatParserStorage.hpp (modified) (2 diffs)

src/Parser/FormatParserStorage.cpp

@@ -33 +33 @@
 
 #include "CodePatterns/Singleton_impl.hpp"
+
+template <> enum ParserTypes getPType<MpqcParser>() { return (enum ParserTypes)mpqc;  }
+template <> enum ParserTypes getPType<PcpParser>() { return (enum ParserTypes)pcp;  }
+template <> enum ParserTypes getPType<PdbParser>() { return (enum ParserTypes)pdb;  }
+template <> enum ParserTypes getPType<TremoloParser>() { return (enum ParserTypes)tremolo;  }
+template <> enum ParserTypes getPType<XyzParser>() { return (enum ParserTypes)xyz;  }
 
 /** Increment operator for the enumeration ParserTypes to allow loops.
@@ -113 +119 @@
 }
 
-
-/** Adds an MpqcParser to the storage.
- */
-void FormatParserStorage::addMpqc()
-{
-  if (!ParserPresent[mpqc]) {
-    ParserList[mpqc] = dynamic_cast<FormatParser *>(new MpqcParser);
-    ParserPresent[mpqc] = true;
-  }
-  else
-    DoeLog(2) && (eLog() << Verbose(2) << "Parser mpqc is already present." << endl
-        << "Note that you don't need to add '-o mpqc' if the input file is of type mpqc." << endl);
-}
-
-
-/** Adds an PcpParser to the storage.
- */
-void FormatParserStorage::addPcp()
-{
-  if (!ParserPresent[pcp]) {
-    ParserList[pcp] = new PcpParser();
-    ParserPresent[pcp] = true;
-  } else
-    DoeLog(2) && (eLog() << Verbose(2) << "Parser pcp is already present." << endl
-        << "Note that you don't need to add '-o pcp' if the input file is of type pcp." << endl);
-}
-
-
-/** Adds an PdbParser to the storage.
- */
-void FormatParserStorage::addPdb()
-{
-  if (!ParserPresent[pdb]) {
-    ParserList[pdb] = new PdbParser();
-    ParserPresent[pdb] = true;
-  } else
-    DoeLog(2) && (eLog() << Verbose(2) << "Parser pdb is already present." << endl
-        << "Note that you don't need to add '-o pdb' if the input file is of type pdb." << endl);
-}
-
-
-/** Adds an TremoloParser to the storage.
- */
-void FormatParserStorage::addTremolo()
-{
-  if (!ParserPresent[tremolo]) {
-    ParserList[tremolo] = new TremoloParser();
-    ParserPresent[tremolo] = true;
-  } else
-    DoeLog(2) && (eLog() << Verbose(2) << "Parser tremolo is already present." << endl
-        << "Note that you don't need to add '-o tremolo' if the input file is of type tremolo." << endl);
-}
-
-
-/** Adds an XyzParser to the storage.
- */
-void FormatParserStorage::addXyz()
-{
-  if (!ParserPresent[xyz]) {
-    ParserList[xyz] = new XyzParser();
-    ParserPresent[xyz] = true;
-  } else
-    DoeLog(2) && (eLog() << Verbose(2) << "Parser xyz is already present." << endl
-        << "Note that you don't need to add '-o xyz' if the input file is of type xyz." << endl);
-}
 
 ParserTypes FormatParserStorage::getTypeFromName(std::string type)
@@ -319 +260 @@
 }
 
-/** Returns reference to the output MpqcParser, adds if not present.
- * \return reference to the output MpqcParser
- */
-MpqcParser &FormatParserStorage::getMpqc()
-{
-  if (!ParserPresent[mpqc])
-    addMpqc();
-  return dynamic_cast<MpqcParser &>(*ParserList[mpqc]);
-}
-
-/** Returns reference to the output PcpParser, adds if not present.
- * \return reference to the output PcpParser
- */
-PcpParser &FormatParserStorage::getPcp()
-{
-  if (!ParserPresent[pcp])
-    addPcp();
-  return dynamic_cast<PcpParser &>(*ParserList[pcp]);
-}
-
-/** Returns reference to the output PdbParser, adds if not present.
- * \return reference to the output PdbParser
- */
-PdbParser &FormatParserStorage::getPdb()
-{
-  if (!ParserPresent[pdb])
-    addPdb();
-  return dynamic_cast<PdbParser &>(*ParserList[pdb]);
-}
-
-/** Returns reference to the output TremoloParser, adds if not present.
- * \return reference to the output TremoloParser
- */
-TremoloParser &FormatParserStorage::getTremolo()
-{
-  if (!ParserPresent[tremolo])
-    addTremolo();
-  return dynamic_cast<TremoloParser &>(*ParserList[tremolo]);
-}
-
-/** Returns reference to the output XyzParser, adds if not present.
- * \return reference to the output XyzParser
- */
-XyzParser &FormatParserStorage::getXyz()
-{
-  if (!ParserPresent[xyz])
-    addXyz();
-  return dynamic_cast<XyzParser &>(*ParserList[xyz]);
-}
-
 /** Returns reference to the desired output parser as FormatParser, adds if not present.
  * \param _type type of desired parser

src/Parser/FormatParserStorage.hpp

@@ -47 +47 @@
 public:
 
-  void addMpqc();
-  void addPcp();
-  void addPdb();
-  void addTremolo();
-  void addXyz();
+  void addMpqc() { addParser<MpqcParser>(); }
+  void addPcp() { addParser<PcpParser>(); }
+  void addPdb() { addParser<PdbParser>(); }
+  void addTremolo() { addParser<TremoloParser>(); }
+  void addXyz() { addParser<XyzParser>(); }
   bool add(std::string type);
   bool add(ParserTypes type);
@@ -60 +60 @@
   bool saveSelectedMolecules(std::ostream &output, std::string suffix);
   bool saveWorld(std::ostream &output, std::string suffix);
-  MpqcParser &getMpqc();
-  PcpParser &getPcp();
-  PdbParser &getPdb();
-  TremoloParser &getTremolo();
-  XyzParser &getXyz();
+  MpqcParser &getMpqc() { return getParser<MpqcParser>(); }
+  PcpParser &getPcp() { return getParser<PcpParser>(); }
+  PdbParser &getPdb() { return getParser<PdbParser>(); }
+  TremoloParser &getTremolo() { return getParser<TremoloParser>(); }
+  XyzParser &getXyz() { return getParser<XyzParser>(); }
   FormatParser &get(enum ParserTypes _type);