Author: bugman Date: Wed Sep 24 19:02:47 2008 New Revision: 7265 URL: http://svn.gna.org/viewcvs/relax?rev=7265&view=rev Log: Propagation of the spin_id variable. Modified: 1.3/generic_fns/grace.py Modified: 1.3/generic_fns/grace.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/grace.py?rev=7265&r1=7264&r2=7265&view=diff ============================================================================== --- 1.3/generic_fns/grace.py (original) +++ 1.3/generic_fns/grace.py Wed Sep 24 19:02:47 2008 @@ -318,7 +318,7 @@ # Multiple data sets. if multi: # Write the header. - write_multi_header(data, file=file, x_data_type=x_data_type, y_data_type=y_data_type, x_return_units=x_return_units, y_return_units=y_return_units, x_return_grace_string=x_return_grace_string, y_return_grace_string=y_return_grace_string, norm=norm) + write_multi_header(data, file=file, spin_id=spin_id, x_data_type=x_data_type, y_data_type=y_data_type, x_return_units=x_return_units, y_return_units=y_return_units, x_return_grace_string=x_return_grace_string, y_return_grace_string=y_return_grace_string, norm=norm) # Write the data. write_multi_data(data, file=file, graph_type=graph_type, norm=norm) @@ -326,7 +326,7 @@ # Single data set. else: # Write the header. - write_header(file=file, x_data_type=x_data_type, y_data_type=y_data_type, x_return_units=x_return_units, y_return_units=y_return_units, x_return_grace_string=x_return_grace_string, y_return_grace_string=y_return_grace_string) + write_header(file=file, spin_id=spin_id, x_data_type=x_data_type, y_data_type=y_data_type, x_return_units=x_return_units, y_return_units=y_return_units, x_return_grace_string=x_return_grace_string, y_return_grace_string=y_return_grace_string) # Write the data. write_data(data, file=file, graph_type=graph_type) @@ -386,11 +386,13 @@ file.write("&\n") -def write_header(file=None, x_data_type=None, y_data_type=None, x_return_units=None, y_return_units=None, x_return_grace_string=None, y_return_grace_string=None): +def write_header(file=None, spin_id=None, x_data_type=None, y_data_type=None, x_return_units=None, y_return_units=None, x_return_grace_string=None, y_return_grace_string=None): """Write the grace header. @keyword file: The file object to write the data to. @type file: file object + @keyword spin_id: The spin identification string. + @type spin_id: str @keyword x_data_type: The category of the X-axis data. @type x_data_type: str @keyword y_data_type: The category of the Y-axis data. @@ -415,7 +417,7 @@ # X-axis set up. if x_data_type == 'spin': # Determine the sequence data type. - seq_type = determine_seq_type(data) + seq_type = determine_seq_type(data, spin_id=spin_id) # Residue only data. if seq_type == 'res': @@ -550,13 +552,15 @@ file.write("&\n") -def write_multi_header(data, file=None, x_data_type=None, y_data_type=None, x_return_units=None, y_return_units=None, x_return_grace_string=None, y_return_grace_string=None, norm=False): +def write_multi_header(data, file=None, spin_id=None, x_data_type=None, y_data_type=None, x_return_units=None, y_return_units=None, x_return_grace_string=None, y_return_grace_string=None, norm=False): """Write the grace header. @param data: The graph numerical data. @type data: list of lists of float @keyword file: The file object to write the data to. @type file: file object + @keyword spin_id: The spin identification string. + @type spin_id: str @keyword x_data_type: The category of the X-axis data. @type x_data_type: str @keyword y_data_type: The category of the Y-axis data. @@ -584,7 +588,7 @@ # X-axis set up. if x_data_type == 'spin': # Determine the sequence data type. - seq_type = determine_seq_type(data) + seq_type = determine_seq_type(data, spin_id=spin_id) # Residue only data. if seq_type == 'res':