Changeset 13892b
- Timestamp:
- Jun 28, 2010, 4:53:51 PM (15 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:
- cfa795
- Parents:
- bdb143 (diff), de8e45 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the(diff)
links above to see all the changes relative to each parent. - Location:
- src
- Files:
-
- 4 edited
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src/CommandLineParser.hpp
rbdb143 r13892b 17 17 #include <list> 18 18 19 /** This class is a wrapper for boost::program_options. 20 * 21 * <h1> CommandLine Howto </h1> 22 * <h2> Introduction </h2> 23 * 24 * The UIFactory is a base class for the User Interaction. There are three UI specializations: 25 * Text, GUI and CommandLine. Accessing functionality via the CommandLine UI is explained here. 26 * 27 * First, an Action has to be written for the specific functionality. This Action should 28 * be added in Actions/...Action in the respective subdirectory of the following types: 29 * -# Analysis: Analysis actions like evaluating pair correlation, bonds, ... 30 * -# Atom: adding, removing, manipulating atoms 31 * -# Cmd: specifying data bases, verbosity, ... 32 * -# Fragmentation: fragmenting a system, performing graph analysis, ... 33 * -# Molecule: adding, removing, manipulating molecules 34 * -# Parser: Parsing files (loading, saving) 35 * -# Tesselation: obtaining (non)convex surface of a molecule, embedding, ... 36 * -# World: Setting Box dimensions, default name of new molecules, ... 37 * 38 * The CommandLineUIFactory is a specialization of the UIFactory for parsing command 39 * line parameters, generating and executing actions there from. 40 * 41 * The idea of the CommandLineFactory is explained elsewhere, here we would like to give a 42 * receipe for creating new actions. 43 * 44 * <h3>Introducing new actions</h3> 45 * 46 * Let us now introduce what to do if a new action is to be implemented. Here, we use the 47 * CommandLineVersionAction as an example. 48 * This consists if basically three parts: 49 * 1. Create the files, write the classes and make them compilable 50 * - Create new source and header files in one of the above subfolders in the Actions folder, 51 * e.g. create VersionAction.cpp and VersionAction.hpp in Actions/Cmd/ 52 * - Give it a sensible class name, the convention is <type><what it does>Action, 53 * where <type> is basically the naming (written out) of the subdirectory, 54 * e.g. class CommandLineVersionAction. 55 * - Add the source and header file to the respective variables in molecuilder/src/Makefile.am, 56 * e.g. if you add a Cmd action the variables are CMDACTIONSOURCE and CMDACTIONHEADER, 57 * such that they get compiled. 58 * 2. Add an instance to the CommandLineUIFactory, such that they are known to the UI. 59 * - Add the header file as an include to UIElements/CommandLineWindow.cpp, e.g. 60 * #include "Actions/Cmd/VersionAction.hpp" 61 * - Add an instance of your class to the specific populater-function in 62 * UIElements/CommandLineWindow.cpp, e.g. for the above Cmd action, add to populateCmdActions() 63 * add new CommandLineVersionAction(). 64 * This will automatically register in the ActionRegistry. 65 * 3. Give them an option name, short hand an description, such that they can be referenced from 66 * the command line. 67 * - think of a new key name, e.g. "version", which is the long form of the command parameter, 68 * i.e. --version). 69 * - add this key to every map of MapofActions, i.e. to 70 * - MapofActions::DescriptionMap: the description which appears as help and tooltip 71 * - MapofActions::ShortFormMap: the short form of the command parameter (e.g. -v) 72 * - MapofActions::ValueMap: the value the command parameter has (do not create if it does not need one) 73 * - If your action requires additional parameters, these need to be added in the same manner as in 74 * the list item above. 75 * 76 * Don't forget to write the actual code. :) 77 * 78 * <h3>Writing an action</h3> 79 * 80 * As you write a new action you may think in terms of the command line, i.e. you want to use this 81 * new functionality you add by calling molecuilder as: ./molecuilder --super-action foobar.txt, where 82 * the key of your new action would be "super-action". While this is fine, keep in mind, that your action 83 * should be useable for the other UI specializations as well, i.e. from the menu and the GUI. Therefore, 84 * -# Don't use cin to ask the user for input: Use Query...()! 85 * -# Rather don't use cout/cerrs, but either give Log() or eLog() or use QueryEmpty() if you want to give 86 * the user specific information what you ask of him. 87 * 88 */ 19 89 class CommandLineParser : public Singleton<CommandLineParser> { 20 90 friend class Singleton<CommandLineParser>; -
src/UIElements/CommandLineUI/CommandLineUIFactory.hpp
rbdb143 r13892b 11 11 #include "UIFactory.hpp" 12 12 13 /** This class is a specialization of the UIFactory. 14 * 15 * <h2> Introduction </h2> 16 * 17 * The UIFactory is a base class for the User Interaction. There are three UI specializations: 18 * Text, GUI and CommandLine. 19 * 20 * The idea of the command line part is as follows: 21 * 22 * All actions that can be called from the command line are instantiated via populater-functions. 23 * In the constructor of an action it is automatically registered with the ActionRegistry and can 24 * henceforth be looked up there. 25 * 26 * There is a CommandLineParser which parses the command line parameters and puts all found values 27 * into a map. Then, MainWindow::Display of the CommandLineUIFactory is called, which goes through 28 * every action (by the ActionRegistry) and looks through the parsed commands whether the action is 29 * desired. 30 * 31 * In the action itself, Query's ask for user input. In the CommandLine case, we don't want direct 32 * user interaction, but the user has to have those values already delivered along with the desired 33 * action. Hence, the Query implementations just look up the desired values in the CommandLineParser 34 * vaults. When they are not found, an exception is thrown. When all are found, the action is performed. 35 * 36 */ 13 37 class CommandLineUIFactory : public UIFactory 14 38 { -
src/UIElements/Dialog.hpp
rbdb143 r13892b 18 18 class Vector; 19 19 20 21 /** Dialog is one of the two main classes of the UIFactory base class. 22 * 23 * The Dialog is meant for asking the user for information needed to perform actions he 24 * desires, such as asking for a position in space or a length. 25 * 26 * For this purpose there is the base class Query and numerous specializations for each 27 * of the types to be asked. There are primitives integer, doubles and string, but also 28 * advanced types such as element, molecule or Vector. There is also an empty query for 29 * displaying text. 30 */ 20 31 class Dialog 21 32 { -
src/UIElements/UIFactory.hpp
rbdb143 r13892b 25 25 * only create UIelements of that certain type, so that all UIElements match. This way different 26 26 * UIs can be handled in a concise abstract way. 27 * 28 * The main functionality is the MainWindow and the Dialog. 29 * 30 * MainWindow basically is the framework if the UI. The MainWindow has a run function which is 31 * called MainWindow::Display(), which will listen for user input and react to it via actions for 32 * as long as the user desires or tells the MainWindow to quit. 33 * 34 * Within the MainWindow Dialog classes may be instantiated which ask the user for input to 35 * certain actions he wants to perform. 36 * 27 37 */ 28 38 class UIFactory : public Singleton<UIFactory,false>
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