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
        v1.4.0
      
      
      
| Rev | Line |   | 
|---|
| [d9005c1] | 1 | /*
 | 
|---|
 | 2 |  * TremoloParser_ElementKeys.hpp
 | 
|---|
 | 3 |  *
 | 
|---|
 | 4 |  *  Created on: Mar 12, 2012
 | 
|---|
 | 5 |  *      Author: heber
 | 
|---|
 | 6 |  */
 | 
|---|
 | 7 | 
 | 
|---|
 | 8 | #ifndef TREMOLOPARSER_ELEMENTKEYS_HPP_
 | 
|---|
 | 9 | #define TREMOLOPARSER_ELEMENTKEYS_HPP_
 | 
|---|
 | 10 | 
 | 
|---|
 | 11 | 
 | 
|---|
 | 12 | // include config.h
 | 
|---|
 | 13 | #ifdef HAVE_CONFIG_H
 | 
|---|
 | 14 | #include <config.h>
 | 
|---|
 | 15 | #endif
 | 
|---|
 | 16 | 
 | 
|---|
 | 17 | #include <iosfwd>
 | 
|---|
 | 18 | #include <map>
 | 
|---|
 | 19 | #include <string>
 | 
|---|
 | 20 | 
 | 
|---|
 | 21 | #include "Parser/Exceptions.hpp"
 | 
|---|
 | 22 | 
 | 
|---|
 | 23 | struct ElementKeys : private std::map<std::string, std::string>
 | 
|---|
 | 24 | {
 | 
|---|
 | 25 |   void parseKnownTypes(std::istream &file);
 | 
|---|
 | 26 |   void createKnownTypesByIdentity();
 | 
|---|
 | 27 | 
 | 
|---|
 | 28 |   const std::string &getType(const std::string &type) const throw (IllegalParserKeyException);
 | 
|---|
 | 29 |   void setType(const std::string &type, const std::string &value) throw (IllegalParserKeyException);
 | 
|---|
 | 30 | };
 | 
|---|
 | 31 | 
 | 
|---|
 | 32 | 
 | 
|---|
 | 33 | #endif /* TREMOLOPARSER_ELEMENTKEYS_HPP_ */
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.