/*
 * 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 data.dox
 *
 *  Herein, we explain what the point of the data subfolder is.
 *
 * Created on: Nov 10, 2011
 *    Author: heber
 */

/**
 * \page data Purpose of the data subfolder
 *
 * \section data-bondtables Bond tables
 *
 * In ./data/bondtables matrix-like files are contained that give bond
 * information per element pair. "-1" specifies unknown bond length. This
 * is used by the class \ref bondgraph to more accurately
 * create the bonding structure of a molecular system. The formula is that
 * the distance between two atoms must match the one in the table plus or
 * minus a certain threshold (BondGraph::BondThreshold).
 *
 * \section data-databases Element databases
 *
 * In \b ./data/databases element databases are stored with standard information
 * from the period table but also certain specific information such as color or
 * valency. These can be parsed by the class function periodentafel::LoadPeriodentafel().
 *
 * \section data-molecules Molecules
 *
 * In \b ./data/molecules some molecules are stored in \a PDB format. The intent
 * is that these are the building stone of a library to come from which molecules
 * necessary for the building of systems can be chosen.
 *
 * If new molecules are added, please specify the source of the file, either in
 * the commit message or (even better) in the comment section of the file. Please
 * also use a format which stores both coordination and bonds (such as .pdb).
 *
 *
 * \date 2011-11-10
 *
 */