ObjCryst++ Object-Oriented Crystallographic Library

1.6.99SVN

Warning- General documentation outdated

Most of the general text in this documentation (status, etc...) is really outdated, but should be helpful to understand the general use about the library. The detailed class documentation, however, is always up-to-date (it can be incomplete, though).

Index

• ObjCryst++ Homepage
• Project page on SourceForge
• ObjCryst++ Download & Installation Notes
• Current status and development history of ObjCryst++
• Wishlist/Todo page for ObjCryst++
• License Information
• Why is Object Oriented Programming good for Crystallographic Computing ?
• The Design of ObjCryst++

News

The new version of ObjCryst++ has been added to Sourceforge. Note that there could remain missing points in the documentation, especially for the graphical interface part (wxCryst).

The new version includes major changes for several classes (ScatteringPower, PowderPattern), and includes the graphical classes associated with all objects using wxWindows, and saving all objects using a new, more expandable XML-based format.

Introduction

Overview of the project

The aim of this project is to provide object-oriented tools for Crystallography. The focus of these tools is the analysis of diffraction data, with an emphasis on speed optimization for repetitive calculations (for global refinement methods such as simulated annealing, for example).

To have an overview of all available libraries, go to the Class Hierarchy.

Even if we intend to use this library mainly for the development of a global optimization program from powder diffraction, this library is programmed in a general way so that other applications can make use of it. The library was designed to be reusable, by adding new kind of experiments, new algorithms, new Scatterer type, new ScatteringPower,... See The Design of ObjCryst++ to learn more about the object-oriented design of this library and why it is good for its expandability.

Contributors

Design & implementation: Vincent Favre-Nicolin (http://v.favrenicolin.free.fr/), vincefn@users.sourceforge.net

This project was initiated in the laboratory of Crystallography of the University of Geneva (http://www.unige.ch/crystal/), and is part of the development of a global optimization program with Radovan Cerny (http://www.unige.ch/crystal/cerny/rcerny.htm).

This project has been supported by the Swiss National Science Foundation (#21-53847.98).

This project also makes use of some other programs or libraries. Most notable in this project are the spacegroup (SgLite) and atominfo packages from R. Grosse-Kunstleve (see License Information).

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