Author: bugman
Date: Sun Mar 23 18:47:06 2008
New Revision: 5220
URL: http://svn.gna.org/viewcvs/relax?rev=5220&view=rev
Log:
Modified the model-free default_value() and return_data_name() methods.
The heteronucleus type is now stored in 'spin.heteronuc_type'. The proton
type has also been added,
and is located in 'spin.proton_type'.
Modified:
1.3/specific_fns/model_free/model_free.py
Modified: 1.3/specific_fns/model_free/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/model_free.py?rev=5220&r1=5219&r2=5220&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/model_free.py (original)
+++ 1.3/specific_fns/model_free/model_free.py Sun Mar 23 18:47:06 2008
@@ -748,7 +748,9 @@
| | |
|
| CSA | 'csa' | -172
* 1e-6 |
| | |
|
- | Heteronucleus type | 'nucleus' | 'N'
|
+ | Heteronucleus type | 'heteronuc_type' | '15N'
|
+ | | |
|
+ | Proton type | 'proton_type' | '1H'
|
|_______________________________________|____________________|________________________|
"""
@@ -787,8 +789,12 @@
return N15_CSA
# Heteronucleus type.
- elif param == 'nucleus':
- return 'N'
+ elif param == 'heteronuc_type':
+ return '15N'
+
+ # Proton type.
+ elif param == 'proton_type':
+ return '1H'
def delete(self, run):
@@ -2611,32 +2617,34 @@
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
____________________________________________________________________________________________
- | | |
|
- | Data type | Object name | Patterns
|
-
|________________________|______________|__________________________________________________|
- | | |
|
- | Local tm | 'local_tm' | '[Ll]ocal[ -_]tm'
|
- | | |
|
- | Order parameter S2 | 's2' | '^[Ss]2$'
|
- | | |
|
- | Order parameter S2f | 's2f' | '^[Ss]2f$'
|
- | | |
|
- | Order parameter S2s | 's2s' | '^[Ss]2s$'
|
- | | |
|
- | Correlation time te | 'te' | '^te$'
|
- | | |
|
- | Correlation time tf | 'tf' | '^tf$'
|
- | | |
|
- | Correlation time ts | 'ts' | '^ts$'
|
- | | |
|
- | Chemical exchange | 'rex' | '^[Rr]ex$' or '[Cc]emical[
-_][Ee]xchange' |
- | | |
|
- | Bond length | 'r' | '^r$' or '[Bb]ond[
-_][Ll]ength' |
- | | |
|
- | CSA | 'csa' | '^[Cc][Ss][Aa]$'
|
- | | |
|
- | Heteronucleus type | 'nucleus' | '^[Nn]ucleus$'
|
-
|________________________|______________|__________________________________________________|
+ | | |
|
+ | Data type | Object name | Patterns
|
+
|________________________|__________________|______________________________________________|
+ | | |
|
+ | Local tm | 'local_tm' | '[Ll]ocal[ -_]tm'
|
+ | | |
|
+ | Order parameter S2 | 's2' | '^[Ss]2$'
|
+ | | |
|
+ | Order parameter S2f | 's2f' | '^[Ss]2f$'
|
+ | | |
|
+ | Order parameter S2s | 's2s' | '^[Ss]2s$'
|
+ | | |
|
+ | Correlation time te | 'te' | '^te$'
|
+ | | |
|
+ | Correlation time tf | 'tf' | '^tf$'
|
+ | | |
|
+ | Correlation time ts | 'ts' | '^ts$'
|
+ | | |
|
+ | Chemical exchange | 'rex' | '^[Rr]ex$' or
'[Cc]emical[ -_][Ee]xchange' |
+ | | |
|
+ | Bond length | 'r' | '^r$' or '[Bb]ond[
-_][Ll]ength' |
+ | | |
|
+ | CSA | 'csa' | '^[Cc][Ss][Aa]$'
|
+ | | |
|
+ | Heteronucleus type | 'heteronuc_type' | '^[Hh]eteronucleus$'
|
+ | | |
|
+ | Proton type | 'proton_type' | '^[Pp]roton$'
|
+
|________________________|__________________|______________________________________________|
"""
__docformat__ = "plaintext"
@@ -2682,8 +2690,12 @@
return 'csa'
# Heteronucleus type.
- if search('^[Nn]ucleus$', name):
- return 'nucleus'
+ if search('^[Hh]heteronucleus$', name):
+ return 'heteronuc_type'
+
+ # Proton type.
+ if search('^[Pp]roton$', name):
+ return 'proton_type'
def return_grace_string(self, param):
r5220 - /1.3/specific_fns/model_free/model_free.py