Action_Thermostats
Add_AtomRandomPerturbation
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
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JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
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:
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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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