r3076 - in /1.3: generic_fns/ prompt/ sample_scripts/ specific_fns/r3076 - in /1.3: generic_fns/ prompt/ sample_scripts/ specific_fns/Author: bugman Date: Sun Mar 4 09:42:29 2007 New Revision: 3076 URL: http://svn.gna.org/viewcvs/relax?rev=3076&view=rev Log: Extended the Grace plotting abilities to include series data such as relaxation exponential curves. This patch includes a large number of changes. The 'grace.write()' user function docstring has been updated and now includes the previously missing relaxation curve-fitting data type string matching patterns. In the module specific_fns.relax_fit the relaxation curve-fitting data type string matching patterns have been updated to include the 'ave_intensities' series object (an array) and the 'relax_times' series object. The 'self.return_grace_string()' method has been updated to include axes labels for these objects. The 'self.return_value()' method of the specific_fns.base_class module has been modified to check for data in 'self.relax.data' if the spin system specific data does not exist. The relaxation curve-fitting sample script has been updated to create plots of the minimised chi-squared value, the initial peak intensity, the relaxation rate, the average peak intensities, and the normalised average peak intensities. Plot normalisation is now supported for series-like data through the 'norm' argument to the 'grace.write()' user function. For relaxation curves, all plots will commence at the value of one. This feature is useful for emphasising errors in the data sets. Modified: 1.3/generic_fns/grace.py 1.3/prompt/grace.py 1.3/sample_scripts/relax_fit.py 1.3/specific_fns/base_class.py 1.3/specific_fns/relax_fit.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: 1.3/generic_fns/grace.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/grace.py?rev=3076&r1=3075&r2=3076&view=diff Modified: 1.3/prompt/grace.py URL: http://svn.gna.org/viewcvs/relax/1.3/prompt/grace.py?rev=3076&r1=3075&r2=3076&view=diff Modified: 1.3/sample_scripts/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/relax_fit.py?rev=3076&r1=3075&r2=3076&view=diff Modified: 1.3/specific_fns/base_class.py URL: http://svn.gna.org/viewcvs/relax/1.3/specific_fns/base_class.py?rev=3076&r1=3075&r2=3076&view=diff Modified: 1.3/specific_fns/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_fit.py?rev=3076&r1=3075&r2=3076&view=diff