Hi, Please see below. 2009/11/16 Michael Bieri <michael.bieri@xxxxxx>:
Hi Edward Thank you for your files, I will try relaxGUI with them. Which relaxGUI you have? I assume it is not the one like the screen shots I sent. I will send you the current GUI to your private address. It does not use gnome-terminal and should run on other operating systems, although I am not sure for Windows, as folders are indicated by '\' instead of '/'. But this can be replaced for a Windows version of relaxGUI.
The version I have, according to the README file is "relaxGUI 1.00 GNOME Edition". For the directory separator this is an easy one, use os.sep! This is the operating system independent way of specifying the directory separator. The 'os' module has many such useful constants. For example from the test_suite/test_suite_runner.py file: root_path=sys.path[-1]+os.sep+'test_suite'+os.sep+'unit_tests'
I just wrote the basic functions for relax calculation. Next issue is to include a 'Settings' dialog, where users can set parameters, such as no. of monte-carlo simulations, grid search.... as well as specify the architecture of the input files. Currently, it is designed to read in sparky files. But this can be changed / added very easy.
The ideal situation would be to have all the options available in the prompt./script user functions in the GUI. This would allow the full power of relax to be exposed.
The ssh issue could also be incorporated in the 'Settings' panel, so users can set up and indicate network computers and relaxGUI will control them.
This would be the best and most powerful way of doing this.
If you have some support for direct implementation of relaxGUI into relax, this would be very nice. If we do not let relaxGUI create the scripts, we don't need to know the root of the program (only for pictures, but this can be solved).
The relax internal API is very, very clean and easy to use. To understand this API, you can look at how the code in 'prompt' accesses the rest of relax. Regards, Edward