Author: bugman
Date: Fri Mar 24 02:49:35 2006
New Revision: 2402
URL: http://svn.gna.org/viewcvs/relax?rev=2402&view=rev
Log:
Set notation fix: Changed the square and round brackets to curly brackets and
replaced ':' with '='.
Modified:
1.2/prompt/diffusion_tensor.py
1.2/prompt/model_free.py
Modified: 1.2/prompt/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/prompt/diffusion_tensor.py?rev=2402&r1=2401&r2=2402&view=diff
==============================================================================
--- 1.2/prompt/diffusion_tensor.py (original)
+++ 1.2/prompt/diffusion_tensor.py Fri Mar 24 02:49:35 2006
@@ -181,8 +181,8 @@
To specify the time in nanoseconds, set the 'time_scale' argument to
1e-9. Alternative
parameters can be used by changing the 'param_types' flag to the
following integers
- 0: tm (Default),
- 1: Diso,
+ 0: {tm} (Default),
+ 1: {Diso},
where
@@ -226,11 +226,11 @@
round brackets, the elements of which are separated by commas.
Alternative sets of
parameters, 'param_types', are
- 0: (tm, Da, theta, phi) (Default),
- 1: (Diso, Da, theta, phi),
- 2: (tm, Dratio, theta, phi),
- 3: (Dpar, Dper, theta, phi),
- 4: (Diso, Dratio, theta, phi),
+ 0: {tm, Da, theta, phi} (Default),
+ 1: {Diso, Da, theta, phi},
+ 2: {tm, Dratio, theta, phi},
+ 3: {Dpar, Dper, theta, phi},
+ 4: {Diso, Dratio, theta, phi},
where
@@ -310,9 +310,9 @@
six. A tuple is a type of data structure enclosed in round
brackets, the elements of which
are separated by commas. Alternative sets of parameters,
'param_types', are
- 0: (tm, Da, Dr, alpha, beta, gamma) (Default),
- 1: (Diso, Da, Dr, alpha, beta, gamma),
- 2: (Dx, Dy, Dz, alpha, beta, gamma),
+ 0: {tm, Da, Dr, alpha, beta, gamma} (Default),
+ 1: {Diso, Da, Dr, alpha, beta, gamma},
+ 2: {Dx, Dy, Dz, alpha, beta, gamma},
where
Modified: 1.2/prompt/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/1.2/prompt/model_free.py?rev=2402&r1=2401&r2=2402&view=diff
==============================================================================
--- 1.2/prompt/model_free.py (original)
+++ 1.2/prompt/model_free.py Fri Mar 24 02:49:35 2006
@@ -305,52 +305,52 @@
~~~~~~~~~~~~~~~~~
The standard preset model-free models are
- 'm0': [],
- 'm1': [S2],
- 'm2': [S2, te],
- 'm3': [S2, Rex],
- 'm4': [S2, te, Rex],
- 'm5': [S2f, S2, ts],
- 'm6': [S2f, tf, S2, ts],
- 'm7': [S2f, S2, ts, Rex],
- 'm8': [S2f, tf, S2, ts, Rex],
- 'm9': [Rex].
+ 'm0' = {},
+ 'm1' = {S2},
+ 'm2' = {S2, te},
+ 'm3' = {S2, Rex},
+ 'm4' = {S2, te, Rex},
+ 'm5' = {S2f, S2, ts},
+ 'm6' = {S2f, tf, S2, ts},
+ 'm7' = {S2f, S2, ts, Rex},
+ 'm8' = {S2f, tf, S2, ts, Rex},
+ 'm9' = {Rex}.
The preset model-free models with optimisation of the CSA value are
- 'm10': [CSA],
- 'm11': [CSA, S2],
- 'm12': [CSA, S2, te],
- 'm13': [CSA, S2, Rex],
- 'm14': [CSA, S2, te, Rex],
- 'm15': [CSA, S2f, S2, ts],
- 'm16': [CSA, S2f, tf, S2, ts],
- 'm17': [CSA, S2f, S2, ts, Rex],
- 'm18': [CSA, S2f, tf, S2, ts, Rex],
- 'm19': [CSA, Rex].
+ 'm10' = {CSA},
+ 'm11' = {CSA, S2},
+ 'm12' = {CSA, S2, te},
+ 'm13' = {CSA, S2, Rex},
+ 'm14' = {CSA, S2, te, Rex},
+ 'm15' = {CSA, S2f, S2, ts},
+ 'm16' = {CSA, S2f, tf, S2, ts},
+ 'm17' = {CSA, S2f, S2, ts, Rex},
+ 'm18' = {CSA, S2f, tf, S2, ts, Rex},
+ 'm19' = {CSA, Rex}.
The preset model-free models with optimisation of the bond length are
- 'm20': [r],
- 'm21': [r, S2],
- 'm22': [r, S2, te],
- 'm23': [r, S2, Rex],
- 'm24': [r, S2, te, Rex],
- 'm25': [r, S2f, S2, ts],
- 'm26': [r, S2f, tf, S2, ts],
- 'm27': [r, S2f, S2, ts, Rex],
- 'm28': [r, S2f, tf, S2, ts, Rex],
- 'm29': [r, CSA, Rex].
+ 'm20' = {r},
+ 'm21' = {r, S2},
+ 'm22' = {r, S2, te},
+ 'm23' = {r, S2, Rex},
+ 'm24' = {r, S2, te, Rex},
+ 'm25' = {r, S2f, S2, ts},
+ 'm26' = {r, S2f, tf, S2, ts},
+ 'm27' = {r, S2f, S2, ts, Rex},
+ 'm28' = {r, S2f, tf, S2, ts, Rex},
+ 'm29' = {r, CSA, Rex}.
The preset model-free models with both optimisation of the bond
length and CSA are
- 'm30': [r, CSA],
- 'm31': [r, CSA, S2],
- 'm32': [r, CSA, S2, te],
- 'm33': [r, CSA, S2, Rex],
- 'm34': [r, CSA, S2, te, Rex],
- 'm35': [r, CSA, S2f, S2, ts],
- 'm36': [r, CSA, S2f, tf, S2, ts],
- 'm37': [r, CSA, S2f, S2, ts, Rex],
- 'm38': [r, CSA, S2f, tf, S2, ts, Rex],
- 'm39': [r, CSA, Rex].
+ 'm30' = {r, CSA},
+ 'm31' = {r, CSA, S2},
+ 'm32' = {r, CSA, S2, te},
+ 'm33' = {r, CSA, S2, Rex},
+ 'm34' = {r, CSA, S2, te, Rex},
+ 'm35' = {r, CSA, S2f, S2, ts},
+ 'm36' = {r, CSA, S2f, tf, S2, ts},
+ 'm37' = {r, CSA, S2f, S2, ts, Rex},
+ 'm38' = {r, CSA, S2f, tf, S2, ts, Rex},
+ 'm39' = {r, CSA, Rex}.
Warning: The models in the thirties range fail when using standard
R1, R2, and NOE
relaxation data. This is due to the extreme flexibly of these
models where a change in the
@@ -360,52 +360,52 @@
Additional preset model-free models, which are simply extensions of
the above models with
the addition of a local tm parameter are:
- 'tm0': [tm],
- 'tm1': [tm, S2],
- 'tm2': [tm, S2, te],
- 'tm3': [tm, S2, Rex],
- 'tm4': [tm, S2, te, Rex],
- 'tm5': [tm, S2f, S2, ts],
- 'tm6': [tm, S2f, tf, S2, ts],
- 'tm7': [tm, S2f, S2, ts, Rex],
- 'tm8': [tm, S2f, tf, S2, ts, Rex],
- 'tm9': [tm, Rex].
+ 'tm0' = {tm},
+ 'tm1' = {tm, S2},
+ 'tm2' = {tm, S2, te},
+ 'tm3' = {tm, S2, Rex},
+ 'tm4' = {tm, S2, te, Rex},
+ 'tm5' = {tm, S2f, S2, ts},
+ 'tm6' = {tm, S2f, tf, S2, ts},
+ 'tm7' = {tm, S2f, S2, ts, Rex},
+ 'tm8' = {tm, S2f, tf, S2, ts, Rex},
+ 'tm9' = {tm, Rex}.
The preset model-free models with optimisation of the CSA value are
- 'tm10': [tm, CSA],
- 'tm11': [tm, CSA, S2],
- 'tm12': [tm, CSA, S2, te],
- 'tm13': [tm, CSA, S2, Rex],
- 'tm14': [tm, CSA, S2, te, Rex],
- 'tm15': [tm, CSA, S2f, S2, ts],
- 'tm16': [tm, CSA, S2f, tf, S2, ts],
- 'tm17': [tm, CSA, S2f, S2, ts, Rex],
- 'tm18': [tm, CSA, S2f, tf, S2, ts, Rex],
- 'tm19': [tm, CSA, Rex].
+ 'tm10' = {tm, CSA},
+ 'tm11' = {tm, CSA, S2},
+ 'tm12' = {tm, CSA, S2, te},
+ 'tm13' = {tm, CSA, S2, Rex},
+ 'tm14' = {tm, CSA, S2, te, Rex},
+ 'tm15' = {tm, CSA, S2f, S2, ts},
+ 'tm16' = {tm, CSA, S2f, tf, S2, ts},
+ 'tm17' = {tm, CSA, S2f, S2, ts, Rex},
+ 'tm18' = {tm, CSA, S2f, tf, S2, ts, Rex},
+ 'tm19' = {tm, CSA, Rex}.
The preset model-free models with optimisation of the bond length are
- 'tm20': [tm, r],
- 'tm21': [tm, r, S2],
- 'tm22': [tm, r, S2, te],
- 'tm23': [tm, r, S2, Rex],
- 'tm24': [tm, r, S2, te, Rex],
- 'tm25': [tm, r, S2f, S2, ts],
- 'tm26': [tm, r, S2f, tf, S2, ts],
- 'tm27': [tm, r, S2f, S2, ts, Rex],
- 'tm28': [tm, r, S2f, tf, S2, ts, Rex],
- 'tm29': [tm, r, CSA, Rex].
+ 'tm20' = {tm, r},
+ 'tm21' = {tm, r, S2},
+ 'tm22' = {tm, r, S2, te},
+ 'tm23' = {tm, r, S2, Rex},
+ 'tm24' = {tm, r, S2, te, Rex},
+ 'tm25' = {tm, r, S2f, S2, ts},
+ 'tm26' = {tm, r, S2f, tf, S2, ts},
+ 'tm27' = {tm, r, S2f, S2, ts, Rex},
+ 'tm28' = {tm, r, S2f, tf, S2, ts, Rex},
+ 'tm29' = {tm, r, CSA, Rex}.
The preset model-free models with both optimisation of the bond
length and CSA are
- 'tm30': [tm, r, CSA],
- 'tm31': [tm, r, CSA, S2],
- 'tm32': [tm, r, CSA, S2, te],
- 'tm33': [tm, r, CSA, S2, Rex],
- 'tm34': [tm, r, CSA, S2, te, Rex],
- 'tm35': [tm, r, CSA, S2f, S2, ts],
- 'tm36': [tm, r, CSA, S2f, tf, S2, ts],
- 'tm37': [tm, r, CSA, S2f, S2, ts, Rex],
- 'tm38': [tm, r, CSA, S2f, tf, S2, ts, Rex],
- 'tm39': [tm, r, CSA, Rex].
+ 'tm30' = {tm, r, CSA},
+ 'tm31' = {tm, r, CSA, S2},
+ 'tm32' = {tm, r, CSA, S2, te},
+ 'tm33' = {tm, r, CSA, S2, Rex},
+ 'tm34' = {tm, r, CSA, S2, te, Rex},
+ 'tm35' = {tm, r, CSA, S2f, S2, ts},
+ 'tm36' = {tm, r, CSA, S2f, tf, S2, ts},
+ 'tm37' = {tm, r, CSA, S2f, S2, ts, Rex},
+ 'tm38' = {tm, r, CSA, S2f, tf, S2, ts, Rex},
+ 'tm39' = {tm, r, CSA, Rex}.
r2402 - in /1.2/prompt: diffusion_tensor.py model_free.py