Seb,
Should this order matter? This is how I see the dependencies and data
storage for the user functions:
For frq.set() user function, the id arg corresponds to an experiment
id string - i.e. one set of loaded peak intensities. This function
requires the data pipe to be set up and one peak intensity list
loaded. The data should be stored in the PipeContainer of the current
data pipe.
For relax_disp.exp_type('cpmg'), only the data pipe needs to exist.
The data should be stored in the PipeContainer of the current data
pipe.
For relax_disp.select_model('fast'), the data pipe needs to exist and
the spin system sequence loaded. The specific code in select_model()
should call exists_mol_res_spin_data() and throw a RelaxError if it
doesn't exist. It should also require the exp_type to be set. The
data should be stored in the SpinContainers of all selected spin
systems.
For relax_disp.cpmg_delayT(), this requires the data pipe and peak
intensities loaded (identified by the id arg). Maybe the exp_type
should also be set so that this is not used with R1rho experiments?
The data should be stored in the PipeContainer of the current data
pipe.
These dependencies should be checked at the very start of the specific
code and RelaxErrors thrown if they are not there. For your system
test scripts, I would therefore put the frq.set() and
relax_dist.cmpg_delayT() into the loop identified by the comment "#
Loop over the spectra.", both after spectrum.read_intensities().
Regards,
Edward
On Mon, Jan 12, 2009 at 1:53 AM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Mon Jan 12 01:53:01 2009
New Revision: 8398
URL: http://svn.gna.org/viewcvs/relax?rev=8398&view=rev
Log:
Rearranged commands in the scripts.
The experiment type and exchange regime will have to be input before the
cpmg pulse train delay T.
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=8398&r1=8397&r2=8398&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
Mon Jan 12 01:53:01 2009
@@ -14,6 +14,12 @@
# Name the spins so they can be matched to the assignments.
spin.name(name='N')
+
+# Set the relaxation dispersion experiment type.
+relax_disp.exp_type('cpmg')
+
+# Set the relaxation dispersion curve type.
+relax_disp.select_model('fast')
# Relaxation dispersion magnetic field (in Hz).
frq.set(id='500', frq=500.0 * 1e6)
@@ -67,12 +73,6 @@
533.33
]
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('cpmg')
-
-# Set the relaxation dispersion curve type.
-relax_disp.select_model('fast')
-
# Loop over the spectra.
for i in xrange(len(names)):
# Load the peak intensities.
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py?rev=8398&r1=8397&r2=8398&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py
Mon Jan 12 01:53:01 2009
@@ -14,6 +14,12 @@
# Name the spins so they can be matched to the assignments.
spin.name(name='N')
+
+# Set the relaxation dispersion experiment type.
+relax_disp.exp_type('cpmg')
+
+# Set the relaxation dispersion curve type.
+relax_disp.select_model('slow')
# Relaxation dispersion magnetic field (in Hz).
frq.set(id='500', frq=500.0 * 1e6)
@@ -67,12 +73,6 @@
533.33
]
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('cpmg')
-
-# Set the relaxation dispersion curve type.
-relax_disp.select_model('slow')
-
# Loop over the spectra.
for i in xrange(len(names)):
# Load the peak intensities.
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Re: r8398 - in /branches/relax_disp/test_suite/system_tests/scripts: relax_disp_cpmg_fast.py relax_disp_cpmg_slow.py