Changeset dc0d21

Timestamp:

Jun 23, 2010, 10:35:25 AM (15 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:

35b698

Parents:

df481f

Message:

FIXes to FormatParserStorage.

• renamed Add..() to add..()
• new functions get which return a reference to the (in absence instantiated) parser.
• FIX: add..() did not set ParserPresent.
• increment operator for enum ParserTypes was implemented in .hpp not .cpp and hence occured multiple times.

Location:

src/Parser

Files:

• FormatParserStorage.cpp (modified) (5 diffs)
• FormatParserStorage.hpp (modified) (3 diffs)

src/Parser/FormatParserStorage.cpp ¶

@@ -23 +23 @@
 
 #include "Patterns/Singleton_impl.hpp"
+
+/** Increment operator for the enumeration ParserTypes to allow loops.
+ * \param &type value
+ * \return value incremented by one
+ */
+ParserTypes &operator++(ParserTypes &type)
+{
+  return type = ParserTypes(type+1);
+}
 
 /** Constructor of class FormatParserStorage.
@@ -74 +83 @@
 /** Adds an MpqcParser to the storage.
  */
-void FormatParserStorage::AddMpqc()
+void FormatParserStorage::addMpqc()
 {
-  if (!ParserPresent[mpqc])
+  if (!ParserPresent[mpqc]) {
     ParserList[mpqc] = dynamic_cast<FormatParser *>(new MpqcParser);
+    ParserPresent[mpqc] = true;
+  }
   else
     DoeLog(1) && (eLog() << Verbose(1) << "Parser mpqc is already present." << endl);
@@ -84 +95 @@
 /** Adds an PcpParser to the storage.
  */
-void FormatParserStorage::AddPcp()
+void FormatParserStorage::addPcp()
 {
-  if (!ParserPresent[pcp])
+  if (!ParserPresent[pcp]) {
     ParserList[pcp] = new PcpParser();
-  else
+    ParserPresent[pcp] = true;
+  } else
     DoeLog(1) && (eLog() << Verbose(1) << "Parser pcp is already present." << endl);
 }
@@ -95 +107 @@
 /** Adds an TremoloParser to the storage.
  */
-void FormatParserStorage::AddTremolo()
+void FormatParserStorage::addTremolo()
 {
-  if (!ParserPresent[tremolo])
+  if (!ParserPresent[tremolo]) {
     ParserList[tremolo] = new TremoloParser();
-  else
+    ParserPresent[tremolo] = true;
+  } else
     DoeLog(1) && (eLog() << Verbose(1) << "Parser tremolo is already present." << endl);
 }
@@ -106 +119 @@
 /** Adds an XyzParser to the storage.
  */
-void FormatParserStorage::AddXyz()
+void FormatParserStorage::addXyz()
 {
-  if (!ParserPresent[xyz])
+  if (!ParserPresent[xyz]) {
     ParserList[xyz] = new XyzParser();
-  else
+    ParserPresent[xyz] = true;
+  } else
     DoeLog(1) && (eLog() << Verbose(1) << "Parser xyz is already present." << endl);
 }
 
+/** 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 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]);
+}
+
+
 
 CONSTRUCT_SINGLETON(FormatParserStorage)

src/Parser/FormatParserStorage.hpp ¶

@@ -20 +20 @@
 
 class FormatParser;
+class MpqcParser;
+class PcpParser;
+class TremoloParser;
+class XyzParser;
 
 // enum has to be outside of class for operator++ to be possible
@@ -25 +29 @@
 typedef enum ParserTypes ParserTypes;
 
-/** Increment operator for the enumeration ParserTypes to allow loops.
- * \param &type value
- * \return value incremented by one
- */
-ParserTypes &operator++(ParserTypes &type) 
-{ 
-  return type = ParserTypes(type+1); 
-}
+ParserTypes &operator++(ParserTypes &type);
 
 class FormatParserStorage : public Singleton<FormatParserStorage> {
@@ -39 +36 @@
 
 
-  void AddMpqc();
-  void AddPcp();
-  void AddTremolo();
-  void AddXyz();
+  void addMpqc();
+  void addPcp();
+  void addTremolo();
+  void addXyz();
+
+  MpqcParser &getMpqc();
+  PcpParser &getPcp();
+  TremoloParser &getTremolo();
+  XyzParser &getXyz();
 
   void SetOutputPrefixForAll(std::string &_prefix);