Author: bugman
Date: Sun Jun 8 15:22:05 2008
New Revision: 6351
URL: http://svn.gna.org/viewcvs/relax?rev=6351&view=rev
Log:
Finished converting the add_data_to_spin() function to the new design.
Modified:
branches/relax_data_rearrange/generic_fns/relax_data.py
Modified: branches/relax_data_rearrange/generic_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data_rearrange/generic_fns/relax_data.py?rev=6351&r1=6350&r2=6351&view=diff
==============================================================================
--- branches/relax_data_rearrange/generic_fns/relax_data.py (original)
+++ branches/relax_data_rearrange/generic_fns/relax_data.py Sun Jun 8
15:22:05 2008
@@ -70,92 +70,83 @@
# Global (non-spin specific) data.
#####################################
- # Global data flag.
- global_flag = True
-
# Initialise the global data if necessary.
- self.data_init(ds[ds.current_pipe])
+ data_init(ds[ds.current_pipe], global_flag=True)
# Add the data structures.
- ds.ri_labels[self.run] = deepcopy(ri_labels)
- ds.remap_table[self.run] = deepcopy(remap_table)
- ds.frq_labels[self.run] = deepcopy(frq_labels)
- ds.frq[self.run] = deepcopy(frq)
- ds.num_ri[self.run] = len(ri_labels)
- ds.num_frq[self.run] = len(frq)
+ ds.ri_labels = deepcopy(ri_labels)
+ ds.remap_table = deepcopy(remap_table)
+ ds.frq_labels = deepcopy(frq_labels)
+ ds.frq = deepcopy(frq)
+ ds.num_ri = len(ri_labels)
+ ds.num_frq = len(frq)
# Residue specific data.
########################
-
- # Global data flag.
- self.global_flag = 0
-
- # Remap the data structure 'ds.res[self.run][res_index]'.
- data = ds.res[self.run][res_index]
# Relaxation data.
if not sim:
# Initialise the relaxation data structures (if needed).
- self.data_init(data)
+ data_init(spin, global_flag=False)
# Relaxation data and errors.
- data.relax_data = values
- data.relax_error = errors
+ spin.relax_data = values
+ spin.relax_error = errors
# Associated data structures.
- data.ri_labels = ri_labels
- data.remap_table = remap_table
+ spin.ri_labels = ri_labels
+ spin.remap_table = remap_table
# Remove any data with the value None.
- for index,Ri in enumerate(data.relax_data):
+ for index, Ri in enumerate(spin.relax_data):
if Ri == None:
- data.relax_data.pop(index)
- data.relax_error.pop(index)
- data.ri_labels.pop(index)
- data.remap_table.pop(index)
+ spin.relax_data.pop(index)
+ spin.relax_error.pop(index)
+ spin.ri_labels.pop(index)
+ spin.remap_table.pop(index)
# Remove any data with error of None.
- for index,error in enumerate(data.relax_error):
+ for index,error in enumerate(spin.relax_error):
if error == None:
- data.relax_data.pop(index)
- data.relax_error.pop(index)
- data.ri_labels.pop(index)
- data.remap_table.pop(index)
+ spin.relax_data.pop(index)
+ spin.relax_error.pop(index)
+ spin.ri_labels.pop(index)
+ spin.remap_table.pop(index)
# Associated data structures.
- data.frq_labels = frq_labels
- data.frq = frq
- data.num_ri = len(ri_labels)
- data.num_frq = len(frq)
+ spin.frq_labels = frq_labels
+ spin.frq = frq
+ spin.num_ri = len(ri_labels)
+ spin.num_frq = len(frq)
# Create an array of None for the NOE R1 translation table.
- for i in xrange(data.num_ri):
- data.noe_r1_table.append(None)
+ for i in xrange(spin.num_ri):
+ spin.noe_r1_table.append(None)
# Update the NOE R1 translation table.
- for i in xrange(data.num_ri):
+ for i in xrange(spin.num_ri):
# If the data corresponds to 'NOE', try to find if the
corresponding R1 data.
- if data.ri_labels[i] == 'NOE':
- for j in xrange(data.num_ri):
- if data.ri_labels[j] == 'R1' and
data.frq_labels[data.remap_table[i]] == data.frq_labels[data.remap_table[j]]:
- data.noe_r1_table[i] = j
+ if spin.ri_labels[i] == 'NOE':
+ for j in xrange(spin.num_ri):
+ if spin.ri_labels[j] == 'R1' and
spin.frq_labels[spin.remap_table[i]] == spin.frq_labels[spin.remap_table[j]]:
+ spin.noe_r1_table[i] = j
# If the data corresponds to 'R1', try to find if the
corresponding NOE data.
- if data.ri_labels[i] == 'R1':
- for j in xrange(data.num_ri):
- if data.ri_labels[j] == 'NOE' and
data.frq_labels[data.remap_table[i]] == data.frq_labels[data.remap_table[j]]:
- data.noe_r1_table[j] = i
+ if spin.ri_labels[i] == 'R1':
+ for j in xrange(spin.num_ri):
+ if spin.ri_labels[j] == 'NOE' and
spin.frq_labels[spin.remap_table[i]] == spin.frq_labels[spin.remap_table[j]]:
+ spin.noe_r1_table[j] = i
# Simulation data.
else:
# Create the data structure if necessary.
- if not hasattr(data, 'relax_sim_data') or type(data.relax_sim_data)
!= list:
- data.relax_sim_data = []
+ if not hasattr(spin, 'relax_sim_data') or type(spin.relax_sim_data)
!= list:
+ spin.relax_sim_data = []
# Append the simulation's relaxation data.
- data.relax_sim_data.append(values)
+ spin.relax_sim_data.append(values)
def back_calc(ri_label=None, frq_label=None, frq=None):
r6351 - /branches/relax_data_rearrange/generic_fns/relax_data.py