r12796 - in /1.3/sample_scripts/model_free: map.py remap.py -- March 04, 2011 - 15:02

Author: bugman
Date: Fri Mar  4 15:02:55 2011
New Revision: 12796

URL: http://svn.gna.org/viewcvs/relax?rev=12796&view=rev
Log:
Updated the OpenDX mapping sample scripts from the relax 1.2 to the 1.3 
design.


Modified:
    1.3/sample_scripts/model_free/map.py
    1.3/sample_scripts/model_free/remap.py

Modified: 1.3/sample_scripts/model_free/map.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/map.py?rev=12796&r1=12795&r2=12796&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/map.py (original)
+++ 1.3/sample_scripts/model_free/map.py Fri Mar  4 15:02:55 2011
@@ -23,15 +23,15 @@
 """Script for mapping the model-free space for OpenDX visualisation."""
 
 
-# Set the run name (also the name of a preset model-free model).
-name = 'm4'
+# The model-free model name.
+name = 'm5'
+
+# Create the data pipe.
 pipe.create(name, 'mf')
 
-# Nuclei type
-value.set('15N', 'heteronucleus')
 
 # Load the sequence.
-sequence.read(name, 'noe.500.out', res_num_col=1)
+sequence.read('noe.500.out', res_num_col=1)
 
 # Load the relaxation data.
 relax_data.read(ri_id='R1_600',  ri_type='R1',  frq=600.0*1e6, 
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
@@ -42,14 +42,14 @@
 relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6, 
file='noe.500.out', res_num_col=1, data_col=3, error_col=4)
 
 # Setup other values.
-diffusion_tensor.init(name, 1e-8)
-value.set(name, 1.02 * 1e-10, 'bond_length')
-value.set(name, -172 * 1e-6, 'csa')
-value.set(name, 2048.0e-12, 'te')
+diffusion_tensor.init(1e-8)
+value.set(1.02*1e-10, 'bond_length')
+value.set(-172*1e-6, 'csa')
+value.set(2048.0e-12, 'te')
+value.set('15N', 'heteronucleus')
 
 # Select the model-free model.
 model_free.select_model(model=name)
-#model_free.create_model(name, name, 'mf_ext2', ['S2f', 'S2s', 'ts'])
 
 # Map data.
 inc = 5
@@ -69,6 +69,5 @@
     lower = None
     upper = None
     point = None
-dx.map(name, params=params, res_num=1, inc=inc, lower=lower, upper=upper, 
point=point)
-#dx.map(name, swap=None, res_num=1, inc=inc, lower=lower, upper=upper, 
point=point)
+dx.map(params=params, spin_id=":1", inc=inc, lower=lower, upper=upper, 
point=point)
 dx.execute()

Modified: 1.3/sample_scripts/model_free/remap.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/remap.py?rev=12796&r1=12795&r2=12796&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/remap.py (original)
+++ 1.3/sample_scripts/model_free/remap.py Fri Mar  4 15:02:55 2011
@@ -45,17 +45,14 @@
     return array([s2f, s2s, ts], float64)
 
 
-# Set the run name (also the name of a preset model-free model).
+# The model-free model name.
 name = 'm5'
 
-# Nuclei type
-value.set('15N', 'heteronucleus')
-
-# Create the run 'name'.
+# Create the data pipe.
 pipe.create(name, 'mf')
 
 # Load the sequence.
-sequence.read(name, 'noe.500.out', res_num_col=1)
+sequence.read('noe.500.out', res_num_col=1)
 
 # Load the relaxation data.
 relax_data.read(ri_id='R1_600',  ri_type='R1',  frq=600.0*1e6, 
file='r1.600.out', res_num_col=1, data_col=3, error_col=4)
@@ -66,9 +63,10 @@
 relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6, 
file='noe.500.out', res_num_col=1, data_col=3, error_col=4)
 
 # Setup other values.
-diffusion_tensor.init(name, 1e-8)
-value.set(name, 1.02 * 1e-10, 'bond_length')
-value.set(name, -172 * 1e-6, 'csa')
+diffusion_tensor.init(1e-8)
+value.set(1.02*1e-10, 'bond_length')
+value.set(-172*1e-6, 'csa')
+value.set('15N', 'heteronucleus')
 
 # Select the model-free model.
 model_free.select_model(model=name)
@@ -81,5 +79,5 @@
 point = [0.952, 32.0e-12, 0.582]
 point = [point[0], point[1], point[0]*point[2]]
 
-dx.map(name, params=params, res_num=1, inc=inc, lower=lower, upper=upper, 
file='remap', point=point, axis_incs=5, remap=remap)
+dx.map(params=params, spin_id=":1", inc=inc, lower=lower, upper=upper, 
file_prefix='remap', point=point, axis_incs=5, remap=remap)
 dx.execute(file='remap')