[Echempp-devel] documentation futureDevelopments.txt,NONE,1.1
Status: Beta
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berndspeiser
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From: Bernd S. <ber...@us...> - 2009-04-30 20:33:51
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Update of /cvsroot/echempp/documentation In directory 23jxhf1.ch3.sourceforge.com:/tmp/cvs-serv15337 Added Files: futureDevelopments.txt Log Message: new documentation file, not yet linked --- NEW FILE: futureDevelopments.txt --- /*! \page EChem++FutureDevelopments Future Developments Here, some possible and tentative future developments within the EChem++ software package are discussed: -# The EChem++ main program source code should be moved from `deep in the directory tree' to a separate directory directly under the top EChem++ directory. The duty of the main program should be: - start up - read the command line options - check files and directories - generate one object of type EChempp (see below) - if appropriate start the GUI - or start stand-alone calculations . The main program source code should be in a file EChem++Main.cpp. -# All calculations should be possible without the use of the GUI. This should be advantageous in situations where there are problems with the graphical system. -# There should be class EChempp wich collects all relevant information, for example - a pointer to the experiment vector - information about the graphics window, its size, ID etc. -# Typical options to the main program should be given on the command line, such as: - a logfile name - an input file - the -noGUI option (for starting the non-GUI stand-alone version); if -noGUI is given, always an input file must be provided . If there are several command line options which are not consistent, the last one should be used. -# Extensive log facilities should be implemented. -# There should be a brief man page. -# The GUI should only be used for input and ouput of data, i.e. it should read contents and put it into some data members, and/or present and visialize internal data. It should not be essential for calculations. -# There should be additional configure options, e.g. -withoutGUI (compiles without the use of a GUI. This might be implemented by defining some macro values and adding some conditionals into the source, to exclude the GUI-relevant code from compilation. -# The build process should be improved, for example using some boost m4-macsors to find the correct boost libraries automatically. back to \ref EChem++Introduction "EChem++ start page" */ |