Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
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
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 440ac3 was 41a467, checked in by Frederik Heber <heber@…>, 13 years ago |
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LARGE: config class is now just a tiny container.
- this was loooooobg overdue. Config.cpp contained remnants from parsing pcp
files and much else. Also fragmentation depended on it. Since refactoring
of MoleculeListClass and the fragmentation, we don't need it anymore.
- helper functions ParseForParameters(), LoadMolecule() extracted into new
module PcpParser_helper.
- config class now just contains 4 variables that are generally required
(especially IsAngstroem) and they should probably remain with the world.
- removed some places where config.hpp was no unnecessarily included.
- Moved ConfigFileBuffer.* over to subfolder src/Parser/ where it rather
belongs (associated with PcpParser).
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Property mode
set to
100644
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File size:
931 bytes
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| Line | |
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| 1 | /*
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| 2 | * PcpParser_helper.hpp
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| 3 | *
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| 4 | * Created on: Oct 27, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef PCPPARSER_HELPER_HPP_
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| 9 | #define PCPPARSER_HELPER_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include <string>
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| 17 |
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| 18 | class ConfigFileBuffer;
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| 19 | class molecule;
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| 20 | class periodentafel;
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| 21 |
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| 22 | int ParseForParameter(const int verbose, ifstream * const file, const char * const name, const int sequential, const int xth, const int yth, const int type, void * value, const int repetition, const int critical);
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| 23 | int ParseForParameter(const int verbose, struct ConfigFileBuffer * const FileBuffer, const char * const name, const int sequential, const int xth, const int yth, const int type, void * value, const int repetition, const int critical);
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| 24 | void LoadMolecule(molecule * const &mol, struct ConfigFileBuffer * const &FileBuffer, const periodentafel * const periode, const bool FastParsing);
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| 25 |
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| 26 |
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| 27 | #endif /* PCPPARSER_HELPER_HPP_ */
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