AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since 1e49e66 was caece4, checked in by Frederik Heber <heber@…>, 11 years ago |
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Enhanced documentation significantly.
- went through all of the constructs and updated each.
- enhanced documentation ofr Fragmentation::FragmentMolecule().
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Property mode
set to
100644
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File size:
1.5 KB
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| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /**
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| 9 | * \file shapes.dox
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| 10 | *
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| 11 | * Created on: Oct 28, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | /** \page shapes Shapes
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| 16 | *
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| 17 | * Shapes are present for denoting a specific region of the simulation domain.
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| 18 | * There are four primitive types present:
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| 19 | * - Sphere
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| 20 | * - Ellipsoid
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| 21 | * - Cuboid
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| 22 | * - Cylinder
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| 23 | *
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| 24 | * Note that all may be modified (shrink/grow, rotate, morph) via an arbitrary
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| 25 | * matrix.
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| 26 | *
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| 27 | * The shapes are for the moment only used within \ref descriptors to specify
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| 28 | * a specific subset of atoms, here that reside in a certain region of the
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| 29 | * simulation domain.
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| 30 | *
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| 31 | * \todo There is a certain relation between Tesselation and Shape. Hence, later
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| 32 | * Tesselation shall itself be a Shape, i.e. that describes a certain region in
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| 33 | * space, here via a tesselated mesh.
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| 34 | *
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| 35 | * \section shapes-constructive-geometry Constructive Geometry
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| 36 | *
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| 37 | * Again, Shapes can be joined via boolean operators:
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| 38 | * - add
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| 39 | * - or
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| 40 | * - not
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| 41 | *
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| 42 | * And thus are a very powerful concept called constructive geometry.
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| 43 | *
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| 44 | * E.g. a shape can be used like this
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| 45 | * \code
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| 46 | * Cuboid(Vector(0,0,0), Vector(2,2,2)) && !Sphere(Vector(1,1,1), 1.)
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| 47 | * \endcode
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| 48 | * which would match any object within the cuboid from (0,0,0) to (2,2,2)
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| 49 | * that is not in the unit sphere at (1,1,1).
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| 50 | *
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| 51 | *
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| 52 | * \date 2014-03-10
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| 53 | *
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| 54 | */
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