Hi,
In this case the object is called 'spin' and this is an instance of
the SpinContainer class. This is a container which stores all the
spin specific data. This includes the relaxation data stored in the
python list called 'relax_data'. So to access the NH backbone
relaxation data, for example 750 MHz NOE (say this is index 5) for the
protein residue, this is located at "spin.relax_data[5]".
For the Monte Carlo simulations, back-calculated relaxation data (one
data set per simulation) is stored in the 'list of lists' called
'relax_sim_data'. So using the previous example, and lets say we want
simulation 382, then we can access this back-calculated NOE at
"spin.relax_sim_data[382][5]". I hope this clarifies how and why I
have named these data structures in this way.
Regards,
Edward
On Jan 15, 2008 11:02 PM, Sebastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
Hi Ed,
I'm not sure about this one...
You say that the following structure should have stayed as relax_sim_data.
Does it mean :
That all "spin" instances must be reverted to "data" ?
or
That only "relax_sim_spin" instances must reverted to "relax_sim_data" ?
Cheers
Séb :)
@@ -102,57 +99,57 @@
noe = None
# Get the R1, R2, and NOE values corresponding to the set frequency.
- for j in xrange(data.num_ri):
+ for j in xrange(spin.num_ri):
# R1.
- if data.remap_table[j] == frq_index and data.ri_labels[j] == 'R1':
+ if spin.remap_table[j] == frq_index and spin.ri_labels[j] == 'R1':
if sim_index == None:
- r1 = data.relax_data[j]
+ r1 = spin.relax_spin[j]
else:
- r1 = data.relax_sim_data[sim_index][j]
+ r1 = spin.relax_sim_spin[sim_index][j]
This structure should have stayed as relax_sim_data.
# R2.
- if data.remap_table[j] == frq_index and data.ri_labels[j] == 'R2':
+ if spin.remap_table[j] == frq_index and spin.ri_labels[j] == 'R2':
if sim_index == None:
- r2 = data.relax_data[j]
+ r2 = spin.relax_spin[j]
else:
- r2 = data.relax_sim_data[sim_index][j]
+ r2 = spin.relax_sim_spin[sim_index][j]
Again the variable should have not been changed.
# NOE.
- if data.remap_table[j] == frq_index and data.ri_labels[j] == 'NOE':
+ if spin.remap_table[j] == frq_index and spin.ri_labels[j] == 'NOE':
if sim_index == None:
- noe = data.relax_data[j]
+ noe = spin.relax_spin[j]
else:
- noe = data.relax_sim_data[sim_index][j]
+ noe = spin.relax_sim_spin[sim_index][j]
And again
Re: r4657 - /branches/consistency_tests_1.3/specific_fns/consistency_tests.py