Author: semor
Date: Mon Mar 31 20:36:12 2008
New Revision: 5242
URL: http://svn.gna.org/viewcvs/relax?rev=5242&view=rev
Log:
Changes to the consistency tests code to reflect the model-free changes of
r5220.
These changes are similar to those made to the J(w) mapping code in r5223.
Modified:
branches/consistency_tests_1.3/specific_fns/consistency_tests.py
Modified: branches/consistency_tests_1.3/specific_fns/consistency_tests.py
URL:
http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/specific_fns/consistency_tests.py?rev=5242&r1=5241&r2=5242&view=diff
==============================================================================
--- branches/consistency_tests_1.3/specific_fns/consistency_tests.py
(original)
+++ branches/consistency_tests_1.3/specific_fns/consistency_tests.py Mon Mar
31 20:36:12 2008
@@ -221,21 +221,23 @@
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
These default values are found in the file 'physical_constants.py'.
-
________________________________________________________________________________________
- | | |
|
- | Data type | Object name | Value
|
-
|_______________________________________|_______________|______________________________|
- | | |
|
- | Bond length | 'r' | 1.02 *
1e-10 |
- | | |
|
- | CSA | 'csa' | -172 *
1e-6 |
- | | |
|
- | Heteronucleus type | 'nucleus' | 'N'
|
- | | |
|
- | Angle Theta | 'orientation' | 15.7
|
- | | |
|
- | Correlation time | 'tc' | 13 * 1e-9
|
-
|_______________________________________|_______________|______________________________|
+
______________________________________________________________________________________
+ | | |
|
+ | Data type | Object name | Value
|
+
|_______________________________________|____________________|_________________________|
+ | | |
|
+ | Bond length | 'r' | 1.02
* 1e-10 |
+ | | |
|
+ | CSA | 'csa' | -172
* 1e-6 |
+ | | |
|
+ | Heteronucleus type | 'heteronuc_type' | '15N'
|
+ | | |
|
+ | Proton type | 'proton_type' | '1H'
|
+ | | |
|
+ | Angle Theta | 'orientation' | 15.7
|
+ | | |
|
+ | Correlation time | 'tc' | 13 *
1e-9 |
+
|_______________________________________|____________________|_________________________|
"""
__docformat__ = "plaintext"
@@ -249,8 +251,12 @@
return N15_CSA
# Heteronucleus type.
- elif param == 'nucleus':
- return 'N'
+ elif param == 'heteronuc_type':
+ return '15N'
+
+ # Proton type.
+ elif param == 'proton_type':
+ return '1H'
# Angle Theta (default value)
elif param == 'orientation':
@@ -287,27 +293,29 @@
Consistency testing data type string matching patterns
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-
____________________________________________________________________________________________
- | | |
|
- | Data type | Object name | Patterns
|
-
|_______________________|_______________|__________________________________________________|
- | | |
|
- | J(0) | 'j0' | '^[Jj]0$' or '[Jj]\(0\)'
|
- | | |
|
- | F_eta | 'f_eta' | '^[Ff]_[Ee][Tt][Aa]$'
|
- | | |
|
- | F_R2 | 'f_r2' | '^[Ff]_[Rr]2$'
|
- | | |
|
- | Bond length | 'r' | '^r$' or '[Bb]ond[
-_][Ll]ength' |
- | | |
|
- | CSA | 'csa' | '^[Cc][Ss][Aa]$'
|
- | | |
|
- | Heteronucleus type | 'nucleus' | '^[Nn]ucleus$'
|
- | | |
|
- | Angle Theta | 'orientation' |
'^[Oo][Rr][Ii][Ee][Nn][Tt][Aa][Tt][Ii][Oo][Nn]$' |
- | | |
|
- | Correlation time | 'tc' | '^[Tt]c$'
|
-
|_______________________|_______________|__________________________________________________|
+
__________________________________________________________________________________________
+ | | |
|
+ | Data type | Object name | Patterns
|
+
|_______________________|__________________|_______________________________________________|
+ | | |
|
+ | J(0) | 'j0' | '^[Jj]0$' or
'[Jj]\(0\)' |
+ | | |
|
+ | F_eta | 'f_eta' | '^[Ff]_[Ee][Tt][Aa]$'
|
+ | | |
|
+ | F_R2 | 'f_r2' | '^[Ff]_[Rr]2$'
|
+ | | |
|
+ | Bond length | 'r' | '^r$' or '[Bb]ond[
-_][Ll]ength' |
+ | | |
|
+ | CSA | 'csa' | '^[Cc][Ss][Aa]$'
|
+ | | |
|
+ | Heteronucleus type | 'heteronuc_type' | '^[Hh]eteronucleus$'
|
+ | | |
|
+ | Proton type | 'proton_type' | '^[Pp]roton$'
|
+ | | |
|
+ | Angle Theta | 'orientation' | '^[Oo]rientation$'
|
+ | | |
|
+ | Correlation time | 'tc' | '^[Tt]c$'
|
+
|_______________________|__________________|_______________________________________________|
"""
__docformat__ = "plaintext"
@@ -332,11 +340,15 @@
return 'csa'
# Heteronucleus type.
- if search('^[Nn]ucleus$', name):
- return 'nucleus'
+ if search('^[Hh]eteronucleus$', name):
+ return 'heteronuc_type'
+
+ # Proton type.
+ if search('^[Pp]roton$', name):
+ return 'proton_type'
# Angle Theta
- if search('^[Oo][Rr][Ii][Ee][Nn][Tt][Aa][Tt][Ii][Oo][Nn]$', name):
+ if search('^[Oo]rientation]$', name):
return 'orientation'
# Correlation time
r5242 - /branches/consistency_tests_1.3/specific_fns/consistency_tests.py