Author: bugman Date: Sun Aug 15 13:19:06 2010 New Revision: 11515 URL: http://svn.gna.org/viewcvs/relax?rev=11515&view=rev Log: The negative gyromagnetic ratio correction flag neg_g_corr is now available in the rdc.read() user fn. Modified: 1.3/prompt/rdc.py Modified: 1.3/prompt/rdc.py URL: http://svn.gna.org/viewcvs/relax/1.3/prompt/rdc.py?rev=11515&r1=11514&r2=11515&view=diff ============================================================================== --- 1.3/prompt/rdc.py (original) +++ 1.3/prompt/rdc.py Sun Aug 15 13:19:06 2010 @@ -267,7 +267,7 @@ rdc.display(align_id=align_id) - def read(self, align_id=None, file=None, dir=None, spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, data_col=None, error_col=None, sep=None, spin_id=None): + def read(self, align_id=None, file=None, dir=None, spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=None, data_col=None, error_col=None, sep=None, spin_id=None, neg_g_corr=False): """Read the RDC data from file. Keyword Arguments @@ -300,7 +300,9 @@ spin_id: The spin ID string to restrict the loading of data to certain spin subsets. - + neg_g_corr: A flag which is used to correct for the negative gyromagnetic ratio of 15N. + + Description ~~~~~~~~~~~ @@ -311,6 +313,9 @@ in separate columns. Note that the numbering of columns starts at one. The spin_id argument can be used to restrict the reading to certain spin types, for example only 15N spins when only residue information is in the file. + + If neg_g_corr is set to True, a sign inversion will be applied to all RDC values to be + loaded. Examples @@ -350,7 +355,8 @@ text = text + ", data_col=" + repr(data_col) text = text + ", error_col=" + repr(error_col) text = text + ", sep=" + repr(sep) - text = text + ", spin_id=" + repr(spin_id) + ")" + text = text + ", spin_id=" + repr(spin_id) + text = text + ", neg_g_corr=" + repr(neg_g_corr) + ")" print(text) # The argument checks. @@ -367,9 +373,10 @@ arg_check.is_int(error_col, 'error column', can_be_none=True) arg_check.is_str(sep, 'column separator', can_be_none=True) arg_check.is_str(spin_id, 'spin ID string', can_be_none=True) - - # Execute the functional code. - rdc.read(align_id=align_id, file=file, dir=dir, spin_id_col=spin_id_col, mol_name_col=mol_name_col, res_num_col=res_num_col, res_name_col=res_name_col, spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, error_col=error_col, sep=sep, spin_id=spin_id) + arg_check.is_bool(neg_g_corr, 'negative gyromagnetic ratio correction') + + # Execute the functional code. + rdc.read(align_id=align_id, file=file, dir=dir, spin_id_col=spin_id_col, mol_name_col=mol_name_col, res_num_col=res_num_col, res_name_col=res_name_col, spin_num_col=spin_num_col, spin_name_col=spin_name_col, data_col=data_col, error_col=error_col, sep=sep, spin_id=spin_id, neg_g_corr=neg_g_corr) def weight(self, align_id=None, spin_id=None, weight=1.0):