Changeset e6c470


Ignore:
Timestamp:
Oct 31, 2011, 5:29:04 PM (13 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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, 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
Children:
bc3411
Parents:
39f4c46
Message:

Fixing documentation.

  • removed out-dated documentation.
  • removed bugs with doxygen.
Location:
src
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/ValueStorage.hpp

    r39f4c46 re6c470  
    8888 * to store&retrieve/exchange values.
    8989 *
    90  * \section <ValueStorage> (ValueStorage howto)
     90 * \section ValueStorage ValueStorage howto
    9191 *
    9292 * If you ever need to add a particular class to the ValueStorage, do as follows:
  • src/UIElements/CommandLineUI/CommandLineParser.hpp

    r39f4c46 re6c470  
    2929
    3030/** This class is a wrapper for boost::program_options.
    31  *
    32  * <h1> CommandLine Howto </h1>
    33  * <h2> Introduction </h2>
    34  *
    35  * The UIFactory is a base class for the User Interaction. There are three UI specializations:
    36  * Text, GUI and CommandLine. Accessing functionality via the CommandLine UI is explained here.
    37  *
    38  * First, an Action has to be written for the specific functionality. This Action should
    39  * be added in Actions/...Action in the respective subdirectory of the following types:
    40  *  -# Analysis: Analysis actions like evaluating pair correlation, bonds, ...
    41  *  -# Atom: adding, removing, manipulating atoms
    42  *  -# Cmd: specifying data bases, verbosity, ...
    43  *  -# Fragmentation: fragmenting a system, performing graph analysis, ...
    44  *  -# Molecule: adding, removing, manipulating molecules
    45  *  -# Parser: Parsing files (loading, saving)
    46  *  -# Tesselation: obtaining (non)convex surface of a molecule, embedding, ...
    47  *  -# World: Setting Box dimensions, default name of new molecules, ...
    48  *
    49  *  The CommandLineUIFactory is a specialization of the UIFactory for parsing command
    50  *  line parameters, generating and executing actions there from.
    51  *
    52  *  The idea of the CommandLineFactory is explained elsewhere, here we would like to give a
    53  *  receipe for creating new actions.
    54  *
    55  * <h3>Introducing new actions</h3>
    56  *
    57  * Let us now introduce what to do if a new action is to be implemented. Here, we use the
    58  * CommandLineVersionAction as an example.
    59  * This consists if basically three parts:
    60  * 1. Create the files, write the classes and make them compilable
    61  *   - Create new source and header files in one of the above subfolders in the Actions folder,
    62  *     e.g. create VersionAction.cpp and VersionAction.hpp in Actions/Cmd/
    63  *   - Give it a sensible class name, the convention is <type><what it does>Action,
    64  *     where <type> is basically the naming (written out) of the subdirectory,
    65  *     e.g. class CommandLineVersionAction.
    66  *   - Add the source and header file to the respective variables in molecuilder/src/Makefile.am,
    67  *     e.g. if you add a Cmd action the variables are CMDACTIONSOURCE and CMDACTIONHEADER,
    68  *     such that they get compiled.
    69  * 2. Add an instance to the CommandLineUIFactory, such that they are known to the UI.
    70  *   - Add the header file as an include to UIElements/CommandLineWindow.cpp, e.g.
    71  *     #include "Actions/Cmd/VersionAction.hpp"
    72  *   - Add an instance of your class to the specific populater-function in
    73  *     UIElements/CommandLineWindow.cpp, e.g. for the above Cmd action, add to populateCommandActions()
    74  *     add new CommandLineVersionAction().
    75  *     This will automatically register in the ActionRegistry.
    76  * 3. Give them an option name, short hand an description, such that they can be referenced from
    77  *    the command line.
    78  *   - think of a new key name, e.g. "version", which is the long form of the command parameter,
    79  *     i.e. --version).
    80  *   - add this key to every map of MapofActions, i.e. to
    81  *     - MapofActions::DescriptionMap: the description which appears as help and tooltip
    82  *     - MapofActions::ShortFormMap: the short form of the command parameter (e.g. -v)
    83  *     - MapofActions::ValueMap: the value the command parameter has (do not create if it does not need one)
    84  *   - If your action requires additional parameters, these need to be added in the same manner as in
    85  *     the list item above.
    86  *
    87  *  Don't forget to write the actual code. :)
    88  *
    89  * <h3>Writing an action</h3>
    90  *
    91  *  As you write a new action you may think in terms of the command line, i.e. you want to use this
    92  *  new functionality you add by calling molecuilder as: ./molecuilder --super-action foobar.txt, where
    93  *  the key of your new action would be "super-action". While this is fine, keep in mind, that your action
    94  *  should be useable for the other UI specializations as well, i.e. from the menu and the GUI. Therefore,
    95  *  -# Don't use cin to ask the user for input: Use Query...()!
    96  *  -# Rather don't use cout/cerrs, but either give Log() or eLog() or use QueryEmpty() if you want to give
    97  *     the user specific information what you ask of him.
    9831 *
    9932 */
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