Author: michaelbieri Date: Thu Feb 25 05:42:42 2010 New Revision: 10924 URL: http://svn.gna.org/viewcvs/relax?rev=10924&view=rev Log: The class Relax_fit reads in the type of calculation (R1 or R2), the frequency, results directory, pdb file and unresolved residues. Modified: branches/bieri_gui/auto_analyses/relax_fit.py Modified: branches/bieri_gui/auto_analyses/relax_fit.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/auto_analyses/relax_fit.py?rev=10924&r1=10923&r2=10924&view=diff ============================================================================== --- branches/bieri_gui/auto_analyses/relax_fit.py (original) +++ branches/bieri_gui/auto_analyses/relax_fit.py Thu Feb 25 05:42:42 2010 @@ -29,13 +29,19 @@ class Relax_fit: - def __init__(self, pipe_name='rx', seq_args=None, file_names=None, relax_times=None, int_method='height', mc_num=500): + def __init__(self, pipe_name='rx', rx_type = 'x', freq = '', seq_args=None, directory = None, file_names=None, relax_times=None, int_method='height', mc_num=500, pdb_file = None, unresolved = None): """Perform relaxation curve fitting. @keyword pipe_name: The name of the data pipe to create. @type pipe_name: str + @keyword freq: Spectrometer frequency. + @type freq: str + @keyword rx_type: Type of Rx analysis: R1 or R2 + @type rx_type: str @keyword seq_args: The sequence data (file name, dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, sep). These are the arguments to the sequence.read() user function, for more information please see the documentation for that function. @type seq_args: list of lists of [str, None or str, None or int, None or int, None or int, None or int, None or int, None or int, None or int, None or str] + @keyword directory: Location of the generated results files. + @type directory: str, directory @keyword file_names: A list of all the peak list file names. @type file_names: list of str @keyword relax_times: The list of relaxation times corresponding to file_names. These two lists must be of the same size. @@ -44,6 +50,10 @@ @type int_method: str @keyword mc_num: The number of Monte Carlo simulations to be used for error analysis at the end of the analysis. @type mc_num: int + @keyword pdb_file: The structure file. + @type pdb_file: str, file + @keyword unresolved: Unresolved residues. + @type unresolved: str """ # Store the args.