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
Candidate_v1.7.0
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
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Last change
on this file since 39f22f was caece4, checked in by Frederik Heber <heber@…>, 11 years ago |
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Enhanced documentation significantly.
- went through all of the constructs and updated each.
- enhanced documentation ofr Fragmentation::FragmentMolecule().
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-
Property mode
set to
100644
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File size:
1.4 KB
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| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /**
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| 9 | * \file commandline.dox
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| 10 | *
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| 11 | * Created on: Oct 31, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | /**
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| 16 | * \page userinterfaces-commandline Command Line Interface
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| 17 | *
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| 18 | * The command line interface allows for using MoleCuilder within scripts such
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| 19 | * system with only slightly varying parameters can be built in a straight-
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| 20 | * forward way.
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| 21 | *
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| 22 | * Commands are parsed via the CommandLineParser which uses boost::program_options
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| 23 | * to recognize the given options. ActionRegistry and OptionRegistry are used
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| 24 | * to distinguish Option's from Action's. Each option has a specific type and a
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| 25 | * Validator ascertains that the value associated with this option and of this
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| 26 | * specific type matches certain criteria.
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| 27 | *
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| 28 | * So far the sequence of the Option's is not really important but for the
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| 29 | * Action's the ordering counts: first come, first serve.
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| 30 | *
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| 31 | * Undoing is possible from the command-line as well. But is so far only used in
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| 32 | * the regression test to test its functionality. However, as the ActionHistory,
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| 33 | * or rather ActionQueue, can be saved as a session, this is useful as in a restored
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| 34 | * ActionHistory undo would allow for traversing back in this history.
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| 35 | *
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| 36 | *
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| 37 | * \date 2014-03-10
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| 38 | *
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| 39 | */
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