Author: bugman Date: Thu Oct 16 00:34:21 2008 New Revision: 7739 URL: http://svn.gna.org/viewcvs/relax?rev=7739&view=rev Log: Merged revisions 7708-7738 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ r7728 | semor | 2008-10-15 23:18:55 +0200 (Wed, 15 Oct 2008) | 5 lines Passed the 'file_data' variable to the det_dimensions() function and removed some 'self.' instances. The system test for XEasy peak list support now goes further... However, more work is still needed. ........ r7730 | semor | 2008-10-16 00:13:40 +0200 (Thu, 16 Oct 2008) | 3 lines Added a missing 'cdp' definition... ........ r7731 | semor | 2008-10-16 00:14:47 +0200 (Thu, 16 Oct 2008) | 3 lines Added a missing import. ........ r7733 | semor | 2008-10-16 00:17:00 +0200 (Thu, 16 Oct 2008) | 3 lines Changed a normalization force flag to boolean. ........ Modified: branches/multi_processor_merge/ (props changed) branches/multi_processor_merge/generic_fns/grace.py branches/multi_processor_merge/generic_fns/intensity.py branches/multi_processor_merge/prompt/grace.py branches/multi_processor_merge/sample_scripts/relax_fit.py Propchange: branches/multi_processor_merge/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Thu Oct 16 00:34:21 2008 @@ -1,1 +1,1 @@ -/1.3:1-7707 +/1.3:1-7738 Modified: branches/multi_processor_merge/generic_fns/grace.py URL: http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/generic_fns/grace.py?rev=7739&r1=7738&r2=7739&view=diff ============================================================================== --- branches/multi_processor_merge/generic_fns/grace.py (original) +++ branches/multi_processor_merge/generic_fns/grace.py Thu Oct 16 00:34:21 2008 @@ -412,6 +412,9 @@ string. @type y_return_grace_string: function """ + + # Get the current data pipe. + cdp = pipes.get_pipe() # Graph G0. file.write("@with g0\n") Modified: branches/multi_processor_merge/generic_fns/intensity.py URL: http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/generic_fns/intensity.py?rev=7739&r1=7738&r2=7739&view=diff ============================================================================== --- branches/multi_processor_merge/generic_fns/intensity.py (original) +++ branches/multi_processor_merge/generic_fns/intensity.py Thu Oct 16 00:34:21 2008 @@ -38,16 +38,16 @@ from relax_warnings import RelaxWarning, RelaxNoSpinWarning -def det_dimensions(): +def det_dimensions(file_data): """Determine which are the proton and heteronuclei dimensions of the XEasy text file. @return: None """ # Loop over the lines of the file until the proton and heteronucleus is reached. - for i in xrange(len(self.file_data)): + for i in xrange(len(file_data)): # Extract the data. - res_num, w1_name, w2_name, intensity = self.intensity(self.file_data[i]) + res_num, w1_name, w2_name, intensity = intensity(file_data[i]) # Proton in w1, heteronucleus in w2. if w1_name == self.proton and w2_name == self.heteronuc: @@ -354,7 +354,7 @@ # Determine the proton and heteronucleus dimensions in the XEasy text file. if format == 'xeasy': - det_dimensions() + det_dimensions(file_data) # Loop over the peak intensity data. for i in xrange(len(file_data)): Modified: branches/multi_processor_merge/prompt/grace.py URL: http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/prompt/grace.py?rev=7739&r1=7738&r2=7739&view=diff ============================================================================== --- branches/multi_processor_merge/prompt/grace.py (original) +++ branches/multi_processor_merge/prompt/grace.py Thu Oct 16 00:34:21 2008 @@ -24,7 +24,7 @@ import sys # relax module imports. -from relax_errors import RelaxBinError, RelaxNoneIntStrError, RelaxNoneStrError, RelaxStrError +from relax_errors import RelaxBinError, RelaxBoolError, RelaxNoneIntStrError, RelaxNoneStrError, RelaxStrError from doc_string import regexp_doc import help from generic_fns import grace, minimise Modified: branches/multi_processor_merge/sample_scripts/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/sample_scripts/relax_fit.py?rev=7739&r1=7738&r2=7739&view=diff ============================================================================== --- branches/multi_processor_merge/sample_scripts/relax_fit.py (original) +++ branches/multi_processor_merge/sample_scripts/relax_fit.py Thu Oct 16 00:34:21 2008 @@ -73,7 +73,7 @@ grace.write(y_data_type='i0', file='i0.agr', force=True) # Initial peak intensity. grace.write(y_data_type='rx', file='rx.agr', force=True) # Relaxation rate. grace.write(x_data_type='relax_times', y_data_type='ave_int', file='intensities.agr', force=True) # Average peak intensities. -grace.write(x_data_type='relax_times', y_data_type='ave_int', norm=1, file='intensities_norm.agr', force=True) # Average peak intensities (normalised). +grace.write(x_data_type='relax_times', y_data_type='ave_int', norm=True, file='intensities_norm.agr', force=True) # Average peak intensities (normalised). # Display the Grace plots. grace.view(file='chi2.agr')