Changeset a42054 for src

Timestamp:

Aug 28, 2010, 6:07:02 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:

eee966

Parents:

199763

Message:

Extended FormatParserStorage.

• renamed ParserSuffix -> ParserSuffixes.
• new lookup table ParserLookupSuffixes.
• renamed getType -> getTypeFromName.
• new function getTypeFromSuffix.

Location:

src/Parser

Files:

• FormatParserStorage.cpp (modified) (7 diffs)
• FormatParserStorage.hpp (modified) (2 diffs)

src/Parser/FormatParserStorage.cpp

@@ -55 +55 @@
   ParserStream.resize(ParserTypes_end, NULL);
   ParserPresent.resize(ParserTypes_end, false);
-  ParserSuffix.resize(ParserTypes_end, "");
 
   ParserNames[mpqc] = "mpqc";
@@ -66 +65 @@
     ParserLookupNames.insert(pair<std::string, ParserTypes>(it->second,it->first) );
 
-  ParserSuffix[mpqc] = "in";
-  ParserSuffix[pcp] = "conf";
-  ParserSuffix[pdb] = "pdb";
-  ParserSuffix[tremolo] = "data";
-  ParserSuffix[xyz] = "xyz";
+  ParserSuffixes[mpqc] = "in";
+  ParserSuffixes[pcp] = "conf";
+  ParserSuffixes[pdb] = "pdb";
+  ParserSuffixes[tremolo] = "data";
+  ParserSuffixes[xyz] = "xyz";
+
+  for (std::map<ParserTypes, std::string>::const_iterator it = ParserSuffixes.begin(); it != ParserSuffixes.end(); ++it)
+    ParserLookupSuffixes.insert(pair<std::string, ParserTypes>(it->second,it->first) );
 
   ParserAddFunction[mpqc] = &FormatParserStorage::addMpqc;
@@ -110 +112 @@
       filename = prefix;
       filename += ".";
-      filename += ParserSuffix[iter];
+      filename += ParserSuffixes[iter];
       ParserStream[iter] = new std::ofstream(filename.c_str());
       ParserList[iter]->setOstream((std::ostream *)ParserStream[iter]);
@@ -177 +179 @@
 }
 
-ParserTypes FormatParserStorage::getType(std::string type)
+ParserTypes FormatParserStorage::getTypeFromName(std::string type)
 {
   if (ParserLookupNames.find(type) == ParserLookupNames.end()) {
@@ -184 +186 @@
   } else
     return ParserLookupNames[type];
+}
+
+ParserTypes FormatParserStorage::getTypeFromSuffix(std::string type)
+{
+  if (ParserLookupSuffixes.find(type) == ParserLookupSuffixes.end()) {
+    DoeLog(1) && (eLog() << Verbose(1) << "Unknown type " << type << "." << endl);
+    return ParserTypes_end;
+  } else
+    return ParserLookupSuffixes[type];
 }
 
@@ -204 +215 @@
 bool FormatParserStorage::add(std::string type)
 {
-  return add(getType(type));
+  return add(getTypeFromName(type));
 }
 
@@ -215 +226 @@
 bool FormatParserStorage::get(std::istream &input, std::string suffix)
 {
-  if (suffix == ParserSuffix[mpqc]) {
+  if (suffix == ParserSuffixes[mpqc]) {
     getMpqc().load(&input);
-  } else if (suffix == ParserSuffix[pcp]) {
+  } else if (suffix == ParserSuffixes[pcp]) {
     getPcp().load(&input);
-  } else if (suffix == ParserSuffix[pdb]) {
+  } else if (suffix == ParserSuffixes[pdb]) {
     getPdb().load(&input);
-  } else if (suffix == ParserSuffix[tremolo]) {
+  } else if (suffix == ParserSuffixes[tremolo]) {
     getTremolo().load(&input);
-  } else if (suffix == ParserSuffix[xyz]) {
+  } else if (suffix == ParserSuffixes[xyz]) {
     getXyz().load(&input);
   } else {

src/Parser/FormatParserStorage.hpp

@@ -52 +52 @@
   XyzParser &getXyz();
 
-  ParserTypes getType(std::string type);
+  ParserTypes getTypeFromName(std::string type);
+  ParserTypes getTypeFromSuffix(std::string type);
 
   void SetOutputPrefixForAll(std::string &_prefix);
@@ -72 +73 @@
 
   // default suffix of each parser type
-  std::vector<std::string> ParserSuffix;
+  std::map<ParserTypes, std::string> ParserSuffixes;
+  std::map<std::string, ParserTypes> ParserLookupSuffixes;
 
   // function pointers to each add...()