Author: bugman
Date: Sat Jul 20 16:59:43 2013
New Revision: 20432
URL: http://svn.gna.org/viewcvs/relax?rev=20432&view=rev
Log:
Updated the reference Sparky peak lists for the 'LM63 3-site' dispersion
model test data.
Added:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_ref.list
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_ref.list
Removed:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_66.6666_ref.list
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_66.6666_ref.list
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.log
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.py
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.log
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.log?rev=20432&r1=20431&r2=20432&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.log
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.log
Sat Jul 20 16:59:43 2013
@@ -90,16 +90,17 @@
intensities.append(i0[frq_index][spin_index] *
exp(-rx*times[time_index]))
# Create a Sparky .list file.
- name = 'nu_%s_%s' % (frq_label[frq_index],
cpmg_frq[cpmg_frq_index])
if time_index == 0 and cpmg_frq_index == 0:
- name += '_ref'
+ name = 'nu_%s_ref' % frq_label[frq_index]
elif time_index == 0:
name = None
+ else:
+ name = 'nu_%s_%s' % (frq_label[frq_index],
cpmg_frq[cpmg_frq_index])
if name:
write_list(file_prefix=name, dir=None, res_names=res_names,
res_nums=res_nums, atom1_names=atom1_names, atom2_names=atom2_names, w1=w1,
w2=w2, data_height=intensities)
----------------------------------------------------------------------------------------------------
Creating the Sparky list file.
-Opening the file 'nu_500MHz_66.6666_ref.list' for writing.
+Opening the file 'nu_500MHz_ref.list' for writing.
Creating the Sparky list file.
Opening the file 'nu_500MHz_66.6666.list' for writing.
Creating the Sparky list file.
@@ -137,7 +138,7 @@
Creating the Sparky list file.
Opening the file 'nu_500MHz_1000.0.list' for writing.
Creating the Sparky list file.
-Opening the file 'nu_800MHz_66.6666_ref.list' for writing.
+Opening the file 'nu_800MHz_ref.list' for writing.
Creating the Sparky list file.
Opening the file 'nu_800MHz_66.6666.list' for writing.
Creating the Sparky list file.
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.py?rev=20432&r1=20431&r2=20432&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/generate.py
Sat Jul 20 16:59:43 2013
@@ -68,10 +68,11 @@
intensities.append(i0[frq_index][spin_index] *
exp(-rx*times[time_index]))
# Create a Sparky .list file.
- name = 'nu_%s_%s' % (frq_label[frq_index],
cpmg_frq[cpmg_frq_index])
if time_index == 0 and cpmg_frq_index == 0:
- name += '_ref'
+ name = 'nu_%s_ref' % frq_label[frq_index]
elif time_index == 0:
name = None
+ else:
+ name = 'nu_%s_%s' % (frq_label[frq_index],
cpmg_frq[cpmg_frq_index])
if name:
write_list(file_prefix=name, dir=None, res_names=res_names,
res_nums=res_nums, atom1_names=atom1_names, atom2_names=atom2_names, w1=w1,
w2=w2, data_height=intensities)
Removed:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_66.6666_ref.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_66.6666_ref.list?rev=20431&view=auto
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_66.6666_ref.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_66.6666_ref.list
(removed)
@@ -1,4 +1,0 @@
- Assignment w1 w2 Data Height
-
- Trp1N-HN 122.454 8.397 100000000
- Trp1NE1-HE1 111.978 8.720 20000000
Added:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_ref.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_ref.list?rev=20432&view=auto
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_ref.list
(added)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_500MHz_ref.list
Sat Jul 20 16:59:43 2013
@@ -1,0 +1,4 @@
+ Assignment w1 w2 Data Height
+
+ Trp1N-HN 122.454 8.397 100000000
+ Trp1NE1-HE1 111.978 8.720 20000000
Removed:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_66.6666_ref.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_66.6666_ref.list?rev=20431&view=auto
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_66.6666_ref.list
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_66.6666_ref.list
(removed)
@@ -1,4 +1,0 @@
- Assignment w1 w2 Data Height
-
- Trp1N-HN 122.454 8.397 150000000
- Trp1NE1-HE1 111.978 8.720 25000000
Added:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_ref.list
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_ref.list?rev=20432&view=auto
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_ref.list
(added)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/nu_800MHz_ref.list
Sat Jul 20 16:59:43 2013
@@ -1,0 +1,4 @@
+ Assignment w1 w2 Data Height
+
+ Trp1N-HN 122.454 8.397 150000000
+ Trp1NE1-HE1 111.978 8.720 25000000
r20432 - /branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/