Changeset 7a51be for src/Parser

Timestamp:

Feb 11, 2011, 9:37:26 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:

f649de

Parents:

170ba6

Message:

new function FormatParserStorage::get to obtain specialized FormatParser instance.

• used in FillVoidWithMoleculeAction and FillWithMoleculeAction.
• both Actions also now use MoleculeByOrder descriptor to obtain last molecule.
• FillBoxWithMolecule() now returns void.
• implemented FillVoidWithMoleculeAction::performUndo().
• TEST: Filling/FillWithMolecule - added undo test.
• TESTFIX: Filling/FillVoidWithMolecule - due to loading of filler molecule with parser, water.data had to be adapted in its ATOMDATA line to match test.data. Otherwise, resulting file will have non-matching ATOMDATA although being otherwise consistent. (This is a workaround to ticket #141).

Location:

src/Parser

Files:

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

src/Parser/FormatParserStorage.cpp

@@ -24 +24 @@
 
 #include "Parser/FormatParserStorage.hpp"
-
-#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/Log.hpp"
@@ -376 +369 @@
 }
 
-
+/** Returns reference to the desired output parser as FormatParser, adds if not present.
+ * \param _type type of desired parser
+ * \return reference to the output FormatParser with desired type
+ */
+FormatParser &FormatParserStorage::get(ParserTypes _type)
+{
+  if (!ParserPresent[_type]) {
+    add(_type);
+  }
+  return *ParserList[_type];
+}
 
 CONSTRUCT_SINGLETON(FormatParserStorage)

src/Parser/FormatParserStorage.hpp

@@ -20 +20 @@
 #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"
+
 class atom;
-class FormatParser;
-class MpqcParser;
-class PdbParser;
-class PcpParser;
-class TremoloParser;
-class XyzParser;
 
 // enum has to be outside of class for operator++ to be possible
@@ -56 +57 @@
   TremoloParser &getTremolo();
   XyzParser &getXyz();
+  FormatParser &get(enum ParserTypes _type);
 
   ParserTypes getTypeFromName(std::string type);