source: src/documentation/mainpage.dox@ 25a81d

/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  2010 University of Bonn. All rights reserved.
 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 */

/**
 * \file mainpage.dox
 *
 *  Here, the mainpage (index.html) for the doxygen documentation resides.
 *
 * Created on: Oct 11, 2011
 *    Author: heber
 */

/*! \page copyright Copyright notice
 *
 *  MoleCuilder - to create and alter molecular systems
 *  Copyright (C) 2010  University Bonn. All rights reserved.
 *
 */

/** \mainpage MoleCuilder - a molecular set builder
 *
 * This is the main page of the Doxygen documentation of \e MoleCuilder. We give
 * a brief description what the program is intended to do and then branch via
 * the contents of this documentation into various topics.
 *
 * \section about About the Program
 *
 *  MoleCuilder is a program, written entirely in C++, that enables the
 *  construction of a coordinate set for the atoms making up a molecular system. It
 *  allows for both building of simple molecules by adding atom-wise giving bond
 *  angles and distances or absolute coordinates, but also using them as
 *  templates. Regions can be specified and ordered to be filled with a molecule
 *  in a certain manner. Greater conglomerations of molecules can be tesselated
 *  and recognized as a region themselves to be subsequently surrounded by other
 *  (surface solvated) molecules.
 *  Once initial configurations have been created, empirical potential functions
 *  can be fitted to ab-initio calculations -- calculated quickly via the BOSSANOVA
 *  scheme -- to enable subsequent (classical) molecular dynamics simulations.
 *
 *  For copyright see \ref copyright.
 *
 * \section idea The central idea behind the program
 *
 * What are the central ideas?
 *
 * - Testedness: See \ref tests-policy which is meant \e seriously. Nothing is
 *   worse than one version behaving different to the next with respect to
 *   output.
 * - Re-usability: Every piece of functionality should be easy to re-use at
 *   someplace else. Say no to specialized one-purpose scripts, say yes to
 *   a LEGO-like system of building your world.
 * - Extendability: It's easy to add a new piece to the code. And it is even
 *   more so, if you have read this documentation and know what's all already
 *   in place.
 * - Userfriendliness: Every Action can be undone, every Action gives lots
 *   of output (if desired) to tell you what's going on. It's easy to save
 *   files in between. There are also three kinds of GUIs, each of which
 *   have the same functionality.
 * - Scriptability: Eventually, you want to create lots of configurations with
 *   only small differences. A session can be stored as either command-line or
 *   python script and extended to create all of the configurations in a straight-
 *   forward manner.
 *
 * \section contents Contents
 *
 * This manual is divided into the following sections:
 * \li \ref install
 * \li \ref tests
 * \li \ref launch
 * \li \ref data
 * \li \ref debug
 * \li \ref code
 * \li \ref fileformats
 * \li \ref userguide
 *
 * \date 2014-04-18
 *
 */