Changeset 6d0f058 for src/Parser
- Timestamp:
- Oct 14, 2011, 3:09:53 PM (13 years ago)
- 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:
- ebb87c
- Parents:
- e114e3
- git-author:
- Frederik Heber <heber@…> (09/27/11 09:59:04)
- git-committer:
- Frederik Heber <heber@…> (10/14/11 15:09:53)
- Location:
- src/Parser
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Parser/FormatParserStorage.cpp
re114e3 r6d0f058 75 75 ParserLookupSuffixes.insert(pair<std::string, ParserTypes>(it->second,it->first) ); 76 76 77 ParserAddFunction[mpqc] = &FormatParserStorage::add Mpqc;78 ParserAddFunction[pcp] = &FormatParserStorage::addP cp;79 ParserAddFunction[pdb] = &FormatParserStorage::addP db;80 ParserAddFunction[tremolo] = &FormatParserStorage::add Tremolo;81 ParserAddFunction[xyz] = &FormatParserStorage::add Xyz;77 ParserAddFunction[mpqc] = &FormatParserStorage::addParser<MpqcParser>; 78 ParserAddFunction[pcp] = &FormatParserStorage::addParser<PcpParser>; 79 ParserAddFunction[pdb] = &FormatParserStorage::addParser<PdbParser>; 80 ParserAddFunction[tremolo] = &FormatParserStorage::addParser<TremoloParser>; 81 ParserAddFunction[xyz] = &FormatParserStorage::addParser<XyzParser>; 82 82 } 83 83 … … 167 167 bool FormatParserStorage::load(std::istream &input, std::string suffix) 168 168 { 169 if (suffix == ParserSuffixes[mpqc]) { 170 getMpqc().load(&input); 171 } else if (suffix == ParserSuffixes[pcp]) { 172 getPcp().load(&input); 173 } else if (suffix == ParserSuffixes[pdb]) { 174 getPdb().load(&input); 175 } else if (suffix == ParserSuffixes[tremolo]) { 176 getTremolo().load(&input); 177 } else if (suffix == ParserSuffixes[xyz]) { 178 getXyz().load(&input); 179 } else { 180 DoeLog(1) && (eLog() << Verbose(1) << "Unknown suffix " << suffix << " to for FormatParserStorage::get()." << endl); 169 enum ParserTypes type = getTypeFromSuffix(suffix); 170 if (type != ParserTypes_end) 171 get(type).load(&input); 172 else 181 173 return false; 182 }183 174 return true; 184 175 } … … 243 234 bool FormatParserStorage::save(std::ostream &output, std::string suffix, const std::vector<atom *> &atoms) 244 235 { 245 if (suffix == ParserSuffixes[mpqc]) { 246 getMpqc().save(&output, atoms); 247 } else if (suffix == ParserSuffixes[pcp]) { 248 getPcp().save(&output, atoms); 249 } else if (suffix == ParserSuffixes[pdb]) { 250 getPdb().save(&output, atoms); 251 } else if (suffix == ParserSuffixes[tremolo]) { 252 getTremolo().save(&output, atoms); 253 } else if (suffix == ParserSuffixes[xyz]) { 254 getXyz().save(&output, atoms); 255 } else { 256 DoeLog(1) && (eLog() << Verbose(1) << "Unknown suffix " << suffix << " to for FormatParserStorage::put()." << endl); 236 enum ParserTypes type = getTypeFromSuffix(suffix); 237 if (type != ParserTypes_end) 238 get(type).save(&output, atoms); 239 else 257 240 return false; 258 }259 241 return true; 260 242 } -
src/Parser/FormatParserStorage.hpp
re114e3 r6d0f058 47 47 public: 48 48 49 void addMpqc() { addParser<MpqcParser>(); }50 void addPcp() { addParser<PcpParser>(); }51 void addPdb() { addParser<PdbParser>(); }52 void addTremolo() { addParser<TremoloParser>(); }53 void addXyz() { addParser<XyzParser>(); }54 49 bool add(std::string type); 55 50 bool add(ParserTypes type); … … 60 55 bool saveSelectedMolecules(std::ostream &output, std::string suffix); 61 56 bool saveWorld(std::ostream &output, std::string suffix); 62 MpqcParser &getMpqc() { return getParser<MpqcParser>(); } 63 PcpParser &getPcp() { return getParser<PcpParser>(); } 64 PdbParser &getPdb() { return getParser<PdbParser>(); } 65 TremoloParser &getTremolo() { return getParser<TremoloParser>(); } 66 XyzParser &getXyz() { return getParser<XyzParser>(); } 57 67 58 FormatParser &get(enum ParserTypes _type); 68 59
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