Author: bugman Date: Fri Oct 9 20:52:52 2009 New Revision: 9715 URL: http://svn.gna.org/viewcvs/relax?rev=9715&view=rev Log: The bmrb.software_select() user function is now more functional. Modified: branches/bmrb/generic_fns/bmrb.py Modified: branches/bmrb/generic_fns/bmrb.py URL: http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/bmrb.py?rev=9715&r1=9714&r2=9715&view=diff ============================================================================== --- branches/bmrb/generic_fns/bmrb.py (original) +++ branches/bmrb/generic_fns/bmrb.py Fri Oct 9 20:52:52 2009 @@ -28,6 +28,7 @@ # relax module imports. from data import Relax_data_store; ds = Relax_data_store() +from data.exp_info import ExpInfo from relax_errors import RelaxError, RelaxFileError, RelaxFileOverwriteError, RelaxNoPipeError from relax_io import get_file_path, mkdir_nofail from specific_fns.setup import get_specific_fn @@ -81,9 +82,17 @@ @type version: str """ + # Unknown program. + if name not in ['NMRPipe', 'Sparky']: + raise RelaxError("The software '%s' is unknown. Please use the user function for manually specifying software details instead." % name) + + # Set up the experimental info data container, if needed. + if not hasattr(cdp, 'exp_info'): + cdp.exp_info = ExpInfo() + # NMRPipe. if name == 'NMRPipe': - pass + cdp.exp_info.software_setup('NMRPipe', version=version, url='http://spin.niddk.nih.gov/NMRPipe/') # Sparky. elif name == 'Sparky': @@ -91,11 +100,8 @@ if not version: raise RelaxError("The Sparky version number has not been supplied.") - # The data. - - # Unknown program. - else: - raise RelaxError("The software '%s' is unknown. Please use the user function for manually specifying software details instead." % name) + # Add the data. + cdp.exp_info.software_setup('Sparky', version=version, url='http://www.cgl.ucsf.edu/home/sparky/') def write(file=None, directory=None, version='3.1', force=False):