Author: bugman
Date: Thu Aug 7 19:53:50 2008
New Revision: 7093
URL: http://svn.gna.org/viewcvs/relax?rev=7093&view=rev
Log:
Removed some more useless functions.
Modified:
branches/rdc_analysis/generic_fns/pcs.py
Modified: branches/rdc_analysis/generic_fns/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/generic_fns/pcs.py?rev=7093&r1=7092&r2=7093&view=diff
==============================================================================
--- branches/rdc_analysis/generic_fns/pcs.py (original)
+++ branches/rdc_analysis/generic_fns/pcs.py Thu Aug 7 19:53:50 2008
@@ -713,184 +713,6 @@
return value, error
-def update_data_structures_pipe(ri_label=None, frq_label=None, frq=None):
- """Function for updating all relaxation data structures in the current
data pipe.
-
- @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
- @param frq: The spectrometer proton frequency in Hz.
- @type frq: float
- """
-
- # Alias the current data pipe.
- cdp = ds[ds.current_pipe]
-
- # Initialise the relaxation data structures (if needed).
- data_init(cdp, global_flag=True)
-
- # The index.
- i = len(cdp.ri_labels) - 1
-
- # Update the number of relaxation data points.
- cdp.num_ri = cdp.num_ri + 1
-
- # Add ri_label to the data types.
- cdp.ri_labels.append(ri_label)
-
- # Find if the frequency has already been loaded.
- remap = len(cdp.frq)
- flag = 0
- for j in xrange(len(cdp.frq)):
- if frq == cdp.frq[j]:
- remap = j
- flag = 1
-
- # Update the remap table.
- cdp.remap_table.append(remap)
-
- # Update the data structures which have a length equal to the number of
field strengths.
- if not flag:
- # Update the number of frequencies.
- cdp.num_frq = cdp.num_frq + 1
-
- # Update the frequency labels.
- cdp.frq_labels.append(frq_label)
-
- # Update the frequency array.
- cdp.frq.append(frq)
-
- # Update the NOE R1 translation table.
- cdp.noe_r1_table.append(None)
-
- # If the data corresponds to 'NOE', try to find if the corresponding R1
data.
- if ri_label == 'NOE':
- for j in xrange(cdp.num_ri):
- if cdp.ri_labels[j] == 'R1' and frq_label ==
cdp.frq_labels[cdp.remap_table[j]]:
- cdp.noe_r1_table[cdp.num_ri - 1] = j
-
- # Update the NOE R1 translation table.
- # If the data corresponds to 'R1', try to find if the corresponding NOE
data.
- if ri_label == 'R1':
- for j in xrange(cdp.num_ri):
- if cdp.ri_labels[j] == 'NOE' and frq_label ==
cdp.frq_labels[cdp.remap_table[j]]:
- cdp.noe_r1_table[j] = cdp.num_ri - 1
-
-
-def update_data_structures_spin(spin=None, ri_label=None, frq_label=None,
frq=None, value=None, error=None):
- """Function for updating all relaxation data structures of the given
spin container.
-
- @param spin: The SpinContainer object.
- @type spin: class instance
- @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
- @param frq: The spectrometer proton frequency in Hz.
- @type frq: float
- @param value: The relaxation data value.
- @type value: float
- @param error: The relaxation data error.
- @type error: float
- """
-
- # Initialise the relaxation data structures (if needed).
- data_init(spin, global_flag=False)
-
- # Find the index corresponding to 'ri_label' and 'frq_label'.
- index = find_index(spin, ri_label, frq_label)
-
- # Append empty data.
- if index == None:
- spin.relax_data.append(None)
- spin.relax_error.append(None)
- spin.ri_labels.append(None)
- spin.remap_table.append(None)
- spin.noe_r1_table.append(None)
-
- # Set the index value.
- if index == None:
- i = len(spin.relax_data) - 1
- else:
- i = index
-
- # Relaxation data and errors.
- spin.relax_data[i] = value
- spin.relax_error[i] = error
-
- # Update the number of relaxation data points.
- if index == None:
- spin.num_ri = spin.num_ri + 1
-
- # Add ri_label to the data types.
- spin.ri_labels[i] = ri_label
-
- # Find if the frequency frq has already been loaded.
- remap = len(spin.frq)
- flag = 0
- for j in xrange(len(spin.frq)):
- if frq == spin.frq[j]:
- remap = j
- flag = 1
-
- # Update the remap table.
- spin.remap_table[i] = remap
-
- # Update the data structures which have a length equal to the number of
field strengths.
- if not flag:
- # Update the number of frequencies.
- if index == None:
- spin.num_frq = spin.num_frq + 1
-
- # Update the frequency labels.
- spin.frq_labels.append(frq_label)
-
- # Update the frequency array.
- spin.frq.append(frq)
-
- # Update the NOE R1 translation table.
- # If the data corresponds to 'NOE', try to find if the corresponding R1
data.
- if ri_label == 'NOE':
- for j in xrange(spin.num_ri):
- if spin.ri_labels[j] == 'R1' and frq_label ==
spin.frq_labels[spin.remap_table[j]]:
- spin.noe_r1_table[spin.num_ri - 1] = j
-
- # Update the NOE R1 translation table.
- # If the data corresponds to 'R1', try to find if the corresponding NOE
data.
- if ri_label == 'R1':
- for j in xrange(spin.num_ri):
- if spin.ri_labels[j] == 'NOE' and frq_label ==
spin.frq_labels[spin.remap_table[j]]:
- spin.noe_r1_table[j] = spin.num_ri - 1
-
-
-def update_noe_r1_table(cont):
- """Update the NOE-R1 translation table.
-
- @param cont: Either the pipe container or spin container to update
the structure of.
- @type cont: PipeContainer or SpinContainer instance
- """
-
- # Create an array of None for the NOE R1 translation table, if the table
is empty.
- if cont.noe_r1_table == []:
- for i in xrange(cont.num_ri):
- cont.noe_r1_table.append(None)
-
- # Loop over the relaxation data.
- for i in xrange(cont.num_ri):
- # If the data corresponds to 'NOE', try to find if the corresponding
R1 data.
- if cont.ri_labels[i] == 'NOE':
- for j in xrange(cont.num_ri):
- if cont.ri_labels[j] == 'R1' and
cont.frq_labels[cont.remap_table[i]] == cont.frq_labels[cont.remap_table[j]]:
- cont.noe_r1_table[i] = j
-
- # If the data corresponds to 'R1', try to find if the corresponding
NOE data.
- if cont.ri_labels[i] == 'R1':
- for j in xrange(cont.num_ri):
- if cont.ri_labels[j] == 'NOE' and
cont.frq_labels[cont.remap_table[i]] == cont.frq_labels[cont.remap_table[j]]:
- cont.noe_r1_table[j] = i
-
-
def write(ri_label=None, frq_label=None, file=None, dir=None, force=0):
"""Function for writing relaxation data."""
r7093 - /branches/rdc_analysis/generic_fns/pcs.py