| 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 future.dox
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| 10 | *
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| 11 | * Created on: Nov 03, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | /**
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| 16 | * \page future What's to come up next code-wise
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| 17 | *
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| 18 | * \section future-refactoring Refactoring the code
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| 19 | *
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| 20 | * Here is a list of what pieces of the code should be refactored to make them
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| 21 | * easier to use:
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| 22 | * - Fragmentation and related classes: Just generate the keysets and have a
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| 23 | * pool of hydrogen atoms that are re-used when creating and writing
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| 24 | * fragments. Add and re-add messes up the Id's of the Atom's.
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| 25 | * - Tesselation and related classes: Especially, the removing and adding of
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| 26 | * nodes is not fully (and correctly) implemented, see the regression tests
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| 27 | * on convex(!) envelopes (non-convex are working).
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| 28 | * - all internal, non-atom related information of FormatParser's should be
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| 29 | * stored in FormatParserParameters (e.g. AtomData line of tremolo)
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| 30 | *
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| 31 | * \section future-extension Extending the code
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| 32 | *
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| 33 | * Here the list of what should be implemented to make the code more powerful
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| 34 | * and just makes sense given the current constructs.
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| 35 | * - LinkedCell should be owned by the World and internally, such that one
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| 36 | * simply may access nearest neighbors (e.g. via Selection of a sphere) but in
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| 37 | * \f$ {\cal O}(N) \f$ and not naively \f${\cal} (N^2)\f$.
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| 38 | * - LinkedCell should be updateable. Thus it could listen to World's
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| 39 | * notifications when World::AtomInserted or World::AtomRemoved and update.
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| 40 | * Hence, it would always be up-to-date. Combined with the Cachable pattern in
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| 41 | * CodePatterns realizing lazy evaluation (http://en.wikipedia.org/wiki/Lazy_evaluation),
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| 42 | * i.e. when many updates have gathered, we rather re-create the linked cell
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| 43 | * structure, this can easily be made very convenient, fast, and powerful.
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| 44 | * - BondGraph should be updataeable. As above it should listen the Worlds'
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| 45 | * notifications and so on (also Cachable ...)
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| 46 | * - Tesselation should be a Shape: Such that it can be used for Fillings.
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| 47 | * - Tesselation should be loadable/storable from/to file: One the one hand
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| 48 | * this could mean \ref serialization but rather \b .3ds or another file
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| 49 | * format such that structures can filled with some external program and
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| 50 | * filled with a certain algorithm later-on.
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| 51 | * - Tesselation: Extend such that the created surface can be pushed away from
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| 52 | * the atoms to resemble the molecular surface (http://en.wikipedia.org/wiki/Molecular_surface)
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| 53 | * - all Actions regarding Filling: Filling should be generalized as to get a
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| 54 | * shape and vector of atoms and to do something with it. Especially, not a
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| 55 | * new Action but a token that just tells how to fill and a factory pattern
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| 56 | * behind it that spits out the algorithm how to do it.
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| 57 | *
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| 58 | *
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| 59 | * \date 2011-11-03
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| 60 | *
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| 61 | */
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