Changeset e6c470
- Timestamp:
- Oct 31, 2011, 5:29:04 PM (13 years ago)
- 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
- Location:
- src
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/ValueStorage.hpp
r39f4c46 re6c470 88 88 * to store&retrieve/exchange values. 89 89 * 90 * \section <ValueStorage> (ValueStorage howto)90 * \section ValueStorage ValueStorage howto 91 91 * 92 92 * If you ever need to add a particular class to the ValueStorage, do as follows: -
src/UIElements/CommandLineUI/CommandLineParser.hpp
r39f4c46 re6c470 29 29 30 30 /** 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 should39 * 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 atoms42 * -# Cmd: specifying data bases, verbosity, ...43 * -# Fragmentation: fragmenting a system, performing graph analysis, ...44 * -# Molecule: adding, removing, manipulating molecules45 * -# 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 command50 * line parameters, generating and executing actions there from.51 *52 * The idea of the CommandLineFactory is explained elsewhere, here we would like to give a53 * 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 the58 * CommandLineVersionAction as an example.59 * This consists if basically three parts:60 * 1. Create the files, write the classes and make them compilable61 * - 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 in73 * 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 from77 * 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. to81 * - MapofActions::DescriptionMap: the description which appears as help and tooltip82 * - 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 in85 * 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 this92 * new functionality you add by calling molecuilder as: ./molecuilder --super-action foobar.txt, where93 * the key of your new action would be "super-action". While this is fine, keep in mind, that your action94 * 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 give97 * the user specific information what you ask of him.98 31 * 99 32 */
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