source: src/documentation/userinterfaces/graphical.dox@ 649aaa

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 Candidate_v1.7.0 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 649aaa was 2ad1ec, checked in by Frederik Heber <heber@…>, 14 years ago

Rewrite of how GLWorldScene and subsidiaries get notified of changed bonds and atoms.

  • we have made the connections from the real atoms and bonds to the nodes within GLWorldScene a lot easier. Also this fixes a crash when Subgraph- Dissection is called.
  • renamed BondedParticle::BondsChanged -> ::BondsAdded.
  • GLMoleculeObject_bond now observes its associated bond.
  • added documentation on how the mechanism works in qt-gui.dox.
  • Property mode set to 100644
File size: 2.2 KB
Line 
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/**
16 * \page userinterfaces-graphical Graphical User Interface
17 *
18 * The GUI is based on Qt4. It used Qt3D for displaying the GlWorldView and
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.
25 * - A list of all currently selected molecules.
26 * - A list of all currently present molecules.
27 *
28 * \section userinterfaces-graphical-query Queries in the graphical interface.
29 *
30 * As all Action always instantiate a Dialog which behaves differently for
31 * each of the three user interface, we give a brief description of what it
32 * does here.
33 *
34 * Each of the query implementations receives a reference to a QLayout where
35 * it just adds its own query, e.g. for a double or a list of strings.
36 * Eventually, this concatenated dialog is presented to the user -- it might
37 * be empty though as well -- he enters all values and clicks accept (even
38 * in case of an empty dialog). These values are passed via a Pipe mechanism
39 * (this is a workaround as Qt's moc does not liked nested classes) to the
40 * ValueStorage.
41 *
42 * \section userinterfaces-graphical-world_view How the World view works ...
43 *
44 * GLWorldView handles the Observer translation to Qt's own mechanism. Also, it
45 * contains an instance of the GLWorldScene. This instance knows about all
46 * atoms and bonds present in this scene, i.e. it has lists on them and handles
47 * adding and removing. Objects in this scene are GLMoleculeObject's which
48 * are either .._atom (clickable) or .._bond (non-clickable). Also,
49 * GLMoleculeObject implements all transformation routines because atom and
50 * bond just differ in being a sphere or a cylinder.
51 *
52 * See \ref qt-gui for more in-depth information
53 *
54 *
55 * \date 2012-01-05
56 *
57 */
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