Author: bugman
Date: Sun Jun 29 15:02:49 2008
New Revision: 6588
URL: http://svn.gna.org/viewcvs/relax?rev=6588&view=rev
Log:
Converted generic_fns.relax_data.copy() to the new relax design.
Modified:
1.3/generic_fns/relax_data.py
Modified: 1.3/generic_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/relax_data.py?rev=6588&r1=6587&r2=6588&view=diff
==============================================================================
--- 1.3/generic_fns/relax_data.py (original)
+++ 1.3/generic_fns/relax_data.py Sun Jun 29 15:02:49 2008
@@ -30,7 +30,7 @@
# relax module imports.
from data import Relax_data_store; ds = Relax_data_store()
from generic_fns import pipes
-from generic_fns.mol_res_spin import exists_mol_res_spin_data,
generate_spin_id_data_array, return_spin, spin_loop
+from generic_fns.mol_res_spin import exists_mol_res_spin_data,
generate_spin_id_data_array, return_spin, spin_index_loop, spin_loop
from relax_errors import RelaxError, RelaxNoResError, RelaxNoRiError,
RelaxNoPipeError, RelaxNoSequenceError, RelaxNoSpinError, RelaxRiError
from relax_io import extract_data, strip
@@ -211,78 +211,90 @@
self.update_data_structures_spin(data, ri_label, frq_label, frq,
value)
-def copy(run1=None, run2=None, ri_label=None, frq_label=None):
- """Function for copying relaxation data from run1 to run2."""
-
- # Arguments.
- self.ri_label = ri_label
- self.frq_label = frq_label
-
- # Test if run1 exists.
- if not run1 in ds.run_names:
- raise RelaxNoPipeError, run1
-
- # Test if run2 exists.
- if not run2 in ds.run_names:
- raise RelaxNoPipeError, run2
-
- # Test if the sequence data for run1 is loaded.
- if not ds.res.has_key(run1):
- raise RelaxNoSequenceError, run1
-
- # Test if the sequence data for run2 is loaded.
- if not ds.res.has_key(run2):
- raise RelaxNoSequenceError, run2
+def copy(pipe_from=None, pipe_to=None, ri_label=None, frq_label=None):
+ """Copy the relaxation data from one data pipe to another.
+
+ @keyword pipe_from: The data pipe to copy the relaxation data from.
This defaults to the
+ current data pipe.
+ @type pipe_from: str
+ @keyword pipe_to: The data pipe to copy the relaxation data to. This
defaults to the current
+ data pipe.
+ @type pipe_to: str
+ @param ri_label: The relaxation data type, ie 'R1', 'R2', or 'NOE'.
+ @type ri_label: str
+ @param frq_label: The field strength label.
+ @type frq_label: str
+ """
+
+ # Defaults.
+ if pipe_from == None and pipe_to == None:
+ raise RelaxError, "The pipe_from and pipe_to arguments cannot both
be set to None."
+ elif pipe_from == None:
+ pipe_from = ds.current_pipe
+ elif pipe_to == None:
+ pipe_to = ds.current_pipe
+
+ # Test if the pipe_from and pipe_to data pipes exist.
+ pipes.test(pipe_from)
+ pipes.test(pipe_to)
+
+ # Test if pipe_from contains sequence data.
+ if not exists_mol_res_spin_data(pipe_from):
+ raise RelaxNoSequenceError
+
+ # Test if pipe_to contains sequence data.
+ if not exists_mol_res_spin_data(pipe_to):
+ raise RelaxNoSequenceError
# Copy all data.
if ri_label == None and frq_label == None:
# Get all data structure names.
names = get_data_names()
- # Loop over the sequence.
- for i in xrange(len(ds.res[run1])):
- # Remap the data structure 'ds.res[run1][i]'.
- data1 = ds.res[run1][i]
- data2 = ds.res[run2][i]
+ # Spin loop.
+ for mol_index, res_index, spin_index in spin_index_loop():
+ # Alias the spin containers.
+ spin_from =
ds[pipe_from].mol[mol_index].res[res_index].spin[spin_index]
+ spin_to =
ds[pipe_to].mol[mol_index].res[res_index].spin[spin_index]
# Loop through the data structure names.
for name in names:
# Skip the data structure if it does not exist.
- if not hasattr(data1, name):
+ if not hasattr(spin_from, name):
continue
# Copy the data structure.
- setattr(data2, name, deepcopy(getattr(data1, name)))
+ setattr(spin_to, name, deepcopy(getattr(spin_from, name)))
# Copy a specific data set.
else:
- # Test if relaxation data corresponding to 'self.ri_label' and
'self.frq_label' exists for run1.
- if not self.test_labels(run1):
- raise RelaxNoRiError, (self.ri_label, self.frq_label)
-
- # Test if relaxation data corresponding to 'self.ri_label' and
'self.frq_label' exists for run2.
- if self.test_labels(run2):
- raise RelaxRiError, (self.ri_label, self.frq_label)
-
- # Loop over the sequence.
- for i in xrange(len(ds.res[run1])):
- # Remap the data structure 'ds.res[run1][i]'.
- data1 = ds.res[run1][i]
- data2 = ds.res[run2][i]
+ # Test if relaxation data corresponding to 'ri_label' and
'frq_label' exists for pipe_from.
+ if not test_labels(ri_label, frq_label, pipe=pipe_from):
+ raise RelaxNoRiError, (ri_label, frq_label)
+
+ # Test if relaxation data corresponding to 'ri_label' and
'frq_label' exists for pipe_to.
+ if not test_labels(ri_label, frq_label, pipe=pipe_to):
+ raise RelaxRiError, (ri_label, frq_label)
+
+ # Spin loop.
+ for mol_index, res_index, spin_index in spin_index_loop():
+ # Alias the spin containers.
+ spin_from =
ds[pipe_from].mol[mol_index].res[res_index].spin[spin_index]
+ spin_to =
ds[pipe_to].mol[mol_index].res[res_index].spin[spin_index]
# Find the index corresponding to 'ri_label' and 'frq_label'.
- index = self.find_index(data1, ri_label, frq_label)
+ index = find_index(spin_from, ri_label, frq_label)
# Catch any problems.
if index == None:
continue
- # Get the value and error from run1.
- value = data1.relax_data[index]
- error = data1.relax_error[index]
-
- # Update all data structures for run2.
- self.update_data_structures_spin(data2, ri_label, frq_label,
frq, value, error)
+ # Get the value and error from pipe_from.
+ value = spin_from.relax_data[index]
+ error = spin_from.relax_error[index]
+
+ # Update all data structures for pipe_to.
+ update_data_structures_spin(spin_to, ri_label, frq_label, frq,
value, error)
def data_init(container, global_flag=False):
r6588 - /1.3/generic_fns/relax_data.py