Author: bugman Date: Sun Oct 22 06:18:02 2006 New Revision: 2658 URL: http://svn.gna.org/viewcvs/relax?rev=2658&view=rev Log: Completion of task #4002 (https://gna.org/task/index.php?4002).
This task was created in response to Daniel Perez's (daniel dot perez at mol dot biol dot ethz dot ch) post at https://mail.gna.org/public/relax-users/2006-10/msg00040.html (Message-id: <[EMAIL PROTECTED]>). Three things were required: 1. The pre-existing function self.relax.specific.jw_mapping.return_conversion_factor was added to the specific setup interface in 'specific_fns/specific_setup.py'. 2. The string 'J(0)' was not being recognised by the function 'self.relax.specific.jw_mapping.return_data_name' as the round brackets needed to be commented out for the 'search' function to work. 3. The specific setup interface was returning the wrong 'return_grace_string' function. The problem was that the model-free version of the function was being returned instead. The function 'return_units' was also that of model-free analysis instead of reduced spectral density mapping. Modified: 1.2/specific_fns/jw_mapping.py 1.2/specific_fns/specific_setup.py Modified: 1.2/specific_fns/jw_mapping.py URL: http://svn.gna.org/viewcvs/relax/1.2/specific_fns/jw_mapping.py?rev=2658&r1=2657&r2=2658&view=diff ============================================================================== --- 1.2/specific_fns/jw_mapping.py (original) +++ 1.2/specific_fns/jw_mapping.py Sun Oct 22 06:18:02 2006 @@ -274,11 +274,11 @@ | Data type | Object name | Patterns | |________________________|______________|__________________________________________________| | | | | - | J(0) | 'j0' | '^[Jj]0$' or '[Jj](0)' | + | J(0) | 'j0' | '^[Jj]0$' or '[Jj]\(0\)' | | | | | - | J(wX) | 'jwx' | '^[Jj]w[Xx]$' or '[Jj](w[Xx])' | + | J(wX) | 'jwx' | '^[Jj]w[Xx]$' or '[Jj]\(w[Xx]\)' | | | | | - | J(wH) | 'jwh' | '^[Jj]w[Hh]$' or '[Jj](w[Hh])' | + | J(wH) | 'jwh' | '^[Jj]w[Hh]$' or '[Jj]\(w[Hh]\)' | | | | | | Bond length | 'r' | '^r$' or '[Bb]ond[ -_][Ll]ength' | | | | | @@ -288,15 +288,15 @@ """ # J(0). - if search('^[Jj]0$', name) or search('[Jj](0)', name): + if search('^[Jj]0$', name) or search('[Jj]\(0\)', name): return 'j0' # J(wX). - if search('^[Jj]w[Xx]$', name) or search('[Jj](w[Xx])', name): + if search('^[Jj]w[Xx]$', name) or search('[Jj]\(w[Xx]\)', name): return 'jwx' # J(wH). - if search('^[Jj]w[Hh]$', name) or search('[Jj](w[Hh])', name): + if search('^[Jj]w[Hh]$', name) or search('[Jj]\(w[Hh]\)', name): return 'jwh' # Bond length. Modified: 1.2/specific_fns/specific_setup.py URL: http://svn.gna.org/viewcvs/relax/1.2/specific_fns/specific_setup.py?rev=2658&r1=2657&r2=2658&view=diff ============================================================================== --- 1.2/specific_fns/specific_setup.py (original) +++ 1.2/specific_fns/specific_setup.py Sun Oct 22 06:18:02 2006 @@ -162,13 +162,17 @@ if self.eqi == 'return_data_name': return self.relax.specific.jw_mapping.return_data_name + # Factor of conversion between different parameter units returning function. + if self.eqi == 'return_conversion_factor': + return self.relax.specific.jw_mapping.return_conversion_factor + # Data error returning function. if self.eqi == 'return_error': return self.relax.specific.jw_mapping.return_error # Grace string returning function. if self.eqi == 'return_grace_string': - return self.relax.specific.model_free.return_grace_string + return self.relax.specific.jw_mapping.return_grace_string # Simulation parameter array returning function. if self.eqi == 'return_sim_param': @@ -180,7 +184,7 @@ # String of the external parameter units returning function. if self.eqi == 'return_units': - return self.relax.specific.model_free.return_units + return self.relax.specific.jw_mapping.return_units # Value and error returning function. if self.eqi == 'return_value': _______________________________________________ relax (http://nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits
