source: src/documentation/mainpage.dox@ 0f3042

Last change on this file since 0f3042 was 936a02, checked in by Frederik Heber <heber@…>, 14 years ago

Creating data dir for bondtables, databases, and molecules.

  • Moved .db files from src/Element to data/databases.
  • Added bondtable.dat from VSpeShape (kudos Christian Neuen) to data/bondtables as an initial bond table from geometry optimization of bielemental systems.
  • Added some abitrary molecules to data/molecules.
  • Added src/documentation/data.dox to explain purpose of the folder.
  • Property mode set to 100644
File size: 2.7 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 mainpage.dox
10 *
11 * Here, the mainpage (index.html) for the doxygen documentation resides.
12 *
13 * Created on: Oct 11, 2011
14 * Author: heber
15 */
16
17/*! \page copyright Copyright notice
18 *
19 * MoleCuilder - to create and alter molecular systems
20 * Copyright (C) 2010 University Bonn. All rights reserved.
21 *
22 */
23
24/** \mainpage MoleCuilder - a molecular set builder
25 *
26 * This is the main page of the Doxygen documentation of \e MoleCuilder. We give
27 * a brief description what the program is intended to do and then branch via
28 * the contents of this documentation into various topics.
29 *
30 * \section about About the Program
31 *
32 * MoleCuilder is a program, written entirely in C++, that enables the
33 * construction of a coordinate set for the atoms making up an molecule. It
34 * allows for both building of simple molecules by adding atom-wise giving bond
35 * angles and distances or absolute coordinates, but also using them as
36 * templates. Regions can be specified and ordered to be filled with a molecule
37 * in a certain manner. Greater conglomerations of molecules can be tesselated
38 * and recognized as a region themselves to be subsequently surrounded by other
39 * (surface solvated) molecules. In the end, MoleCuilder allows the construction
40 * of arbitrary nano structures, whether they be crystalline or amorphic in
41 * nature.
42 *
43 * For copyright see \ref copyright.
44 *
45 * \section idea The central idea behind the program
46 *
47 * What are the central ideas?
48 *
49 * - Testedness: See \ref tests-policy which is meant \e seriously. Nothing is
50 * worse than one version behaving different to the next with respect to
51 * output.
52 * - Re-usability: Every piece of functionality should be easy to re-use at
53 * someplace else. Say no to specialized one-purpose scripts, say yes to
54 * a LEGO-like system of building your world.
55 * - Extendability: It's easy to add a new piece to the code. And it is even
56 * more so, if you have read this documentation and know what's all already
57 * in place.
58 * - Userfriendliness: Every Action can be undone, every Action gives lots
59 * of output (if desired) to tell you what's going on. It's easy to save
60 * files in between. There are also three kinds of GUIs, each of which
61 * have the same functionality.
62 *
63 * \section contents Contents
64 *
65 * This manual is divided into the following sections:
66 * \li \ref install
67 * \li \ref tests
68 * \li \ref launch
69 * \li \ref data
70 * \li \ref debug
71 * \li \ref code
72 * \li \ref fileformats
73 *
74 * \date 2011-10-31
75 *
76 */
77
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