|
20 | 20 | * This file includes only documentation, to be formatted automatically by doxygen.
|
21 | 21 | */
|
22 | 22 |
|
| 23 | +// Using thr namespace allows links to classes to be generated without the ObjCryst:: prefix |
| 24 | +namespace ObjCryst |
| 25 | +{ |
| 26 | + |
23 | 27 | /*! \mainpage %ObjCryst++ Object-Oriented Crystallographic Library
|
24 | 28 | **
|
25 | 29 | *\section index Index
|
|
36 | 40 | * refinement methods such as simulated annealing, for example).
|
37 | 41 | *
|
38 | 42 | *\par
|
39 |
| -* To have an overview of all available libraries, go to the <a href="hierarchy.html">Class Hierarchy</a>. |
| 43 | +* To have an <b>overview of all available libraries</b>, go to the <a href="hierarchy.html">Class Hierarchy</a>. |
| 44 | +* You are probably interested in the main Crystallographic classes, including: |
| 45 | +* * Crystal: the base class describing a complete crystal structure |
| 46 | +* * Scatterer: the base class for a scatterer, including: |
| 47 | +* * Atom |
| 48 | +* * Molecule |
| 49 | +* * ScatteringData, including: |
| 50 | +* * DiffractionDataSingleCrystal |
| 51 | +* * PowderPatternDiffraction |
| 52 | +* * PowderPattern: describing a complete powder pattern with multiple phases, background |
| 53 | +* * PowderPatternComponent: can be derived to: |
| 54 | +* * PowderPatternBackground |
| 55 | +* * PowderPatternDiffraction |
| 56 | +* * SpaceGroup: with all the spacegroup and symmetry information, interfacing with cctbx |
| 57 | +* * RefinableObj: the base refinable object with a list of parameters - all |
| 58 | +* objects are derived from it. |
| 59 | +* * RefinablePar: the base refinable paremeter, which is used in all RefinableObj |
| 60 | +* * Algorithm classes: |
| 61 | +* * OptimizationObj, from which MonteCarloObj is derived |
| 62 | +* * LSQNumObj: least-squares minimisation |
| 63 | +* * CellExplorer: class for the volume dichotomy algorithm |
| 64 | +* |
40 | 65 | *\par
|
41 | 66 | * Even if we intend to use this library mainly for the development of a global optimization
|
42 | 67 | * program from powder diffraction, this library is programmed in a general way so that
|
43 | 68 | * other applications can make use of it.
|
44 | 69 | * The library was designed to be reusable, by adding new kind of experiments, new algorithms,
|
45 | 70 | * new Scatterer type, new ScatteringPower,...
|
46 | 71 | *
|
| 72 | +*\par |
| 73 | +* <b>There are two main usage of the ObjCryst++ library today, and you are encouraged |
| 74 | +* to start using those, unless you already know you want to use the C++ library</b>: |
| 75 | +* * \b Fox, 'Free Objects for Xtallography' is an application for Linux, macOS and windows |
| 76 | +* which can be <a href="https://github.com/vincefn/objcryst/releases">downloaded from GitHub</a>, |
| 77 | +* and can be used mainly to solve crystal structures from powder diffraction |
| 78 | +* * \b pyobjcryst is the python module which can be used as an interface to a large |
| 79 | +* part of the ObjCryst++ library: see the <a href="https://pyobjcryst.readthedocs.io/">documentation</a> |
| 80 | +* and the <a href="https://github.com/diffpy/pyobjcryst">github project</a>), including |
| 81 | +* <a href="https://pyobjcryst.readthedocs.io/en/latest/examples/index.html"> example notebooks</a>. |
| 82 | +* |
47 | 83 | *\par Contributors
|
48 | 84 | * Design & implementation: Vincent Favre-Nicolin (http://v.favrenicolin.free.fr/),
|
49 | 85 |
|
50 | 86 | *\par
|
51 | 87 | * This project was initiated in the laboratory of Crystallography of the University
|
52 |
| -* of Geneva (http://www.unige.ch/crystal/), and is part of the development of a global |
53 |
| -* optimization program with Radovan Cerny (http://www.unige.ch/crystal/cerny/rcerny.htm). |
| 88 | +* of Geneva (http://www.unige.ch/), and is part of the development of a global |
| 89 | +* optimization program with Radovan Cerny (https://www.unige.ch/societes/SSCr/w3cerny/rcerny.htm). |
54 | 90 | * \par
|
55 | 91 | * This project has been supported by the <a href="http://www.snf.ch/">Swiss
|
56 | 92 | * National Science Foundation (#21-53847.98)</a>.
|
|
92 | 128 | *\par
|
93 | 129 | *
|
94 | 130 | */
|
| 131 | + |
| 132 | +} //namespace |
0 commit comments