Changeset 360c8b for src/Parser/FormatParser.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/FormatParser.hpp (modified) (1 diff)

src/Parser/FormatParser.hpp

@@ -14 +14 @@
 #endif
 
+#include <iosfwd>
+#include <string>
+#include <vector>
 
-#include "CodePatterns/Observer.hpp"
-#include "ChangeTracker.hpp"
-#include "FormatParser_Parameters.hpp"
+#include "CodePatterns/Assert.hpp"
 
-namespace MoleCuilder {
-  class MoleculeLoadAction;
-}
+#include "FormatParserTrait.hpp"
+#include "FormatParserInterface.hpp"
+#include "FormatParser_common.hpp"
+#include "ParserTypes.hpp"
 
 class atom;
 
 /**
+ * @file
+ * <H1> FormatParser Howto </H1>
+ *
+ * <H2> Introduction </H2>
+ *
+ * FormatParsers parse external streams (files) and bring their information
+ * into the World. That is they implement load and save functions that work
+ * on a specific vector atoms.
+ *
+ * <H2> Building your own Parsers </H2>
+ *
+ * Building Parsers is easy. All you have to do is the following:
+ * -# add a new parser type to the file ParserTypes.def.
+ * -# add a new template specialization of FormatParser in a new header and
+ *    module that implement the virtual load and save functions.
+ * -# Add the header file of your new parser to FormatParserStorage.cpp.
+ *
+ * <H3> Specific notes on the macros </H3>
+ *
+ * To clarify a bit the internals of all the different FormatParser... files, here
+ * are some notes:
+ * -# We make use of boost::preprocessor to generate lists from the sequence
+ *    given in ParserTypes.def (and undefined in ParserTypes.undef). These might
+ *    be forward declarations of even implementations. This is to assure that
+ *    none are forgotten when a new FormatParser is added.
+ * -# Thanks to the above construct FormatParserStorage also immediately knows
+ *    about any new parsers and can get and add such instances.
+ */
+
+/**
  * General parser which observes the change tracker.
  */
-class FormatParser : public Observer {
-  friend class MoleCuilder::MoleculeLoadAction;
-public:
-  FormatParser();
-  virtual ~FormatParser();
-  virtual void save(std::ostream* file, const std::vector<atom *> &atoms)=0;
-  virtual void load(std::istream* file)=0;
-  void setOstream(std::ostream* file);
+template <enum ParserTypes Ptype>
+class FormatParser : virtual public FormatParserInterface, public FormatParser_common {
+  FormatParser() :
+    FormatParser_common(NULL)
+  {
+    ASSERT(0, "FormatParser<>::FormatParser() - unspecialized function cannot be called."); 
+  }
+  virtual ~FormatParser()
+  {
+    ASSERT(0, "FormatParser<>::~FormatParser() - unspecialized function cannot be called."); 
+  }
 
-protected:
-  void update(Observable *publisher);
-  void recieveNotification(Observable *publisher, Notification_ptr notification);
-  void subjectKilled(Observable *publisher);
-
-  // these functions are called when atoms are inserted or removed
-  virtual void AtomInserted(atomId_t) {};
-  virtual void AtomRemoved(atomId_t) {};
-
-  FormatParser_Parameters *parameters;
-private:
-
-  std::ostream* saveStream;
+  void load(std::istream *file) 
+  {
+    ASSERT(0, "FormatParser<>::load() - unspecialized function cannot be called."); 
+  }
+  void save(std::ostream *file, const std::vector<atom *> &atoms)
+  {
+    ASSERT(0, "FormatParser<>::save() - unspecialized function cannot be called."); 
+  }
 };
 
+#include "FormatParser_specializations_header.hpp"
+
 #endif /* FORMATPARSER_HPP_ */