source: src/documentation/userinterfaces/graphical.dox@ 2528d8

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
Last change on this file since 2528d8 was caece4, checked in by Frederik Heber <heber@…>, 11 years ago

Enhanced documentation significantly.

  • went through all of the constructs and updated each.
  • enhanced documentation ofr Fragmentation::FragmentMolecule().
  • Property mode set to 100644
File size: 2.3 KB
RevLine 
[750cff]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/**
9 * \file graphical.dox
10 *
11 * Created on: Oct 31, 2011
12 * Author: heber
13 */
14
15/**
[35a889]16 * \page userinterfaces-graphical Graphical User Interface
[750cff]17 *
[caece4]18 * The GUI is based on Qt4. It uses Qt3D for displaying the GlWorldView and
[750cff]19 * allowing for easy selecting of atoms and molecules.
20 *
21 * The GUI consists of the following parts:
22 * - a menu created in a likewise as the one for the \ref textmenu.
23 * - a world view, implemented in GLWorldView, displaying atoms and bonds
24 * and allowing for selecting them.
[caece4]25 * - a tab widget on the right with hover info and a list of shapes.
26 * - a tab widget below the world view enlisting molecules, elements, fragments,
27 * and homologies.
28 *
[750cff]29 *
[35a889]30 * \section userinterfaces-graphical-query Queries in the graphical interface.
[750cff]31 *
[caece4]32 * As all Action's always instantiate a Dialog which behaves differently for
[750cff]33 * each of the three user interface, we give a brief description of what it
34 * does here.
35 *
36 * Each of the query implementations receives a reference to a QLayout where
37 * it just adds its own query, e.g. for a double or a list of strings.
38 * Eventually, this concatenated dialog is presented to the user -- it might
39 * be empty though as well -- he enters all values and clicks accept (even
[caece4]40 * in case of an empty dialog). These values are inspected with each Option's
41 * validator and only if all are true, accept is actually clickable. If not, at
42 * least one option is still invalid.
43 *
[750cff]44 *
[35a889]45 * \section userinterfaces-graphical-world_view How the World view works ...
[750cff]46 *
[caece4]47 * GLWorldView handles the Observer translation to Qt's own signal/slot mechanism.
48 * Also, it contains an instance of the GLWorldScene. This instance knows all about
[750cff]49 * atoms and bonds present in this scene, i.e. it has lists on them and handles
50 * adding and removing. Objects in this scene are GLMoleculeObject's which
51 * are either .._atom (clickable) or .._bond (non-clickable). Also,
52 * GLMoleculeObject implements all transformation routines because atom and
53 * bond just differ in being a sphere or a cylinder.
54 *
[2ad1ec]55 * See \ref qt-gui for more in-depth information
[750cff]56 *
[2ad1ec]57 *
[caece4]58 * \date 2014-03-10
[750cff]59 *
60 */
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