Changeset 360c8b for src/Parser/FormatParserStorage.hpp

Timestamp:

Oct 20, 2011, 10:42:16 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, Candidate_v1.7.0, 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:

f94953

Parents:

fa9d1d (diff), 752bb4 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Frederik Heber <heber@…> (10/20/11 22:40:59)

git-committer:

Frederik Heber <heber@…> (10/20/11 22:42:16)

Message:

Merge branch 'Adding_Psi3Parser' into stable

Conflicts:

src/Parser/FormatParser.hpp
src/Parser/unittests/ParserTremoloUnitTest.cpp

Issues:

• Element and periodentafel have been moved to folder src/Element.

File:

• src/Parser/FormatParserStorage.hpp (modified) (5 diffs)

src/Parser/FormatParserStorage.hpp

@@ -16 +16 @@
 #include "CodePatterns/Singleton.hpp"
 
+#include <iosfwd>
+#include <map>
 #include <string>
-#include <map>
 #include <vector>
 
-#include "Parser/FormatParser.hpp"
-#include "Parser/MpqcParser.hpp"
-#include "Parser/PcpParser.hpp"
-#include "Parser/PdbParser.hpp"
-#include "Parser/TremoloParser.hpp"
-#include "Parser/XyzParser.hpp"
+#include "CodePatterns/Assert.hpp"
+#include "CodePatterns/Log.hpp"
+#include "FormatParser.hpp"
+#include "ParserTypes.hpp"
 
 class atom;
-
-// enum has to be outside of class for operator++ to be possible
-enum ParserTypes { mpqc, pcp, pdb, tremolo, xyz, ParserTypes_end, ParserTypes_begin = mpqc };
-typedef enum ParserTypes ParserTypes;
-
-ParserTypes &operator++(ParserTypes &type);
+class FormatParserInterface;
 
 class FormatParserStorage : public Singleton<FormatParserStorage> {
@@ -39 +33 @@
 public:
 
-  void addMpqc();
-  void addPcp();
-  void addPdb();
-  void addTremolo();
-  void addXyz();
   bool add(std::string type);
   bool add(ParserTypes type);
@@ -52 +41 @@
   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();
-  FormatParser &get(enum ParserTypes _type);
+  
+  FormatParserInterface &get(ParserTypes _type);
 
   ParserTypes getTypeFromName(std::string type);
@@ -71 +56 @@
   
   // list of allocated parsers
-  std::vector<FormatParser *> ParserList;
+  std::vector<FormatParserInterface *> ParserList;
 
   // list of allocated strams
@@ -90 +75 @@
   std::map<std::string, ParserTypes> ParserLookupNames;
 
-
   // prefix of the filenames to use on save
   std::string prefix;
+
+public:
+  template<ParserTypes Ptype> void addParser()
+  {
+    if (!ParserPresent[Ptype]) {
+      ParserList[Ptype] = new FormatParser<Ptype>();
+      ParserPresent[Ptype] = true;
+    } else {
+      ASSERT(ParserNames.find(Ptype) != ParserNames.end(),
+          "FormatParserStorage::addParser() - ParserNames unknown for type"+toString((size_t)Ptype)+".");
+      ASSERT(ParserSuffixes.find(Ptype) != ParserSuffixes.end(),
+          "FormatParserStorage::addParser() - ParserSuffixes unknown for type"+toString((size_t)Ptype)+".");
+      LOG(2, "INFO: Parser " << ParserNames[Ptype] << " is already present." << std::endl
+          << "Note that you don't need to add '-o " 
+          << ParserSuffixes[Ptype] << "' if the input file is non-empty and of type " 
+          << ParserSuffixes[Ptype] << "." << std::endl);
+    }
+  }
+
+  template<ParserTypes Ptype> FormatParser<Ptype> &getParser() 
+  {
+    if(!ParserPresent[Ptype])
+      addParser< Ptype >();
+    return dynamic_cast<FormatParser<Ptype> &>(*ParserList[Ptype]);
+  }
 };