Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
|
Last change
on this file since 3aa204 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:
1.5 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 shapes.dox
|
|---|
| 10 | *
|
|---|
| 11 | * Created on: Oct 28, 2011
|
|---|
| 12 | * Author: heber
|
|---|
| 13 | */
|
|---|
| 14 |
|
|---|
| 15 | /** \page shapes Shapes
|
|---|
| 16 | *
|
|---|
| 17 | * Shapes are present for denoting a specific region of the simulation domain.
|
|---|
| 18 | * There are four primitive types present:
|
|---|
| 19 | * - Sphere
|
|---|
| 20 | * - Ellipsoid
|
|---|
| 21 | * - Cuboid
|
|---|
| 22 | * - Cylinder
|
|---|
| 23 | *
|
|---|
| 24 | * Note that all may be modified (shrink/grow, rotate, morph) via an arbitrary
|
|---|
| 25 | * matrix.
|
|---|
| 26 | *
|
|---|
| 27 | * The shapes are for the moment only used within \ref descriptors to specify
|
|---|
| 28 | * a specific subset of atoms, here that reside in a certain region of the
|
|---|
| 29 | * simulation domain.
|
|---|
| 30 | *
|
|---|
| 31 | * \todo There is a certain relation between Tesselation and Shape. Hence, later
|
|---|
| 32 | * Tesselation shall itself be a Shape, i.e. that describes a certain region in
|
|---|
| 33 | * space, here via a tesselated mesh.
|
|---|
| 34 | *
|
|---|
| 35 | * \section shapes-constructive-geometry Constructive Geometry
|
|---|
| 36 | *
|
|---|
| 37 | * Again, Shapes can be joined via boolean operators:
|
|---|
| 38 | * - add
|
|---|
| 39 | * - or
|
|---|
| 40 | * - not
|
|---|
| 41 | *
|
|---|
| 42 | * And thus are a very powerful concept called constructive geometry.
|
|---|
| 43 | *
|
|---|
| 44 | * E.g. a shape can be used like this
|
|---|
| 45 | * \code
|
|---|
| 46 | * Cuboid(Vector(0,0,0), Vector(2,2,2)) && !Sphere(Vector(1,1,1), 1.)
|
|---|
| 47 | * \endcode
|
|---|
| 48 | * which would match any object within the cuboid from (0,0,0) to (2,2,2)
|
|---|
| 49 | * that is not in the unit sphere at (1,1,1).
|
|---|
| 50 | *
|
|---|
| 51 | *
|
|---|
| 52 | * \date 2014-03-10
|
|---|
| 53 | *
|
|---|
| 54 | */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
