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Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
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Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
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ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 4464ef was a44d70, checked in by Frederik Heber <heber@…>, 9 years ago |
Placed all TREMOLO Potential parsing into distinct structure.
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File size:
1.0 KB
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[a44d70] | 1 | /*
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| 2 | * TremoloPotentialFileParser.hpp
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| 3 | *
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| 4 | * Created on: Mar 9, 2016
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 |
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| 9 | #ifndef TREMOLOPOTENTIALFILEPARSER_HPP_
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| 10 | #define TREMOLOPOTENTIALFILEPARSER_HPP_
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include <istream>
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| 18 | #include <set>
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| 19 |
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| 20 | #include "Potentials/TremoloPotentialTypes.hpp"
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| 21 |
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| 22 | /** This structure is a case for some static functions to parse Particles
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| 23 | * and EmpiricalPotentials from TREMOLO potentials files.
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| 24 | */
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| 25 | struct TremoloPotentialFileParser
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| 26 | {
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| 27 | typedef std::set<TremoloPotentialTypes::tokentype_t> allowed_types_t;
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| 28 |
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| 29 | /** Parse Particle records from a given \a _stream.
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| 30 | *
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| 31 | * \param _stream stream to parse from
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| 32 | * \return true - streaming successful, else - failure
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| 33 | */
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| 34 | static bool parseParticles(std::istream &_stream);
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| 35 |
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| 36 | /** Parse EmpiricalPotential records from a given \a _stream.
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| 37 | *
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| 38 | * \param _stream stream to parse from
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| 39 | * \return true - streaming successful, else - failure
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| 40 | */
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| 41 | static bool parsePotentials(std::istream &_stream);
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| 42 | };
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| 43 |
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| 44 |
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| 45 | #endif /* TREMOLOPOTENTIALFILEPARSER_HPP_ */
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