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:
<4539BABA.80204@xxxxxxxxxxxxxxxx>).
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':
r2658 - in /1.2/specific_fns: jw_mapping.py specific_setup.py