Author: bugman
Date: Wed Nov 28 11:25:29 2007
New Revision: 4107
URL: http://svn.gna.org/viewcvs/relax?rev=4107&view=rev
Log:
Renaming of the update_data_structures() functions.
The functions have changed to:
update_data_structures() -> update_data_structures_spin()
update_global_data_structures() -> update_data_structures_pipe()
Modified:
1.3/specific_fns/relax_data.py
Modified: 1.3/specific_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_data.py?rev=4107&r1=4106&r2=4107&view=diff
==============================================================================
--- 1.3/specific_fns/relax_data.py (original)
+++ 1.3/specific_fns/relax_data.py Wed Nov 28 11:25:29 2007
@@ -182,7 +182,7 @@
self.data_init(relax_data_store)
# Update the global data.
- self.update_global_data_structures()
+ self.update_data_structures_pipe()
# Residue specific data.
@@ -210,7 +210,7 @@
back_up = deepcopy(data)
# Initialise all data structures.
- self.update_data_structures(data)
+ self.update_data_structures_spin(data)
# Back-calculate the relaxation value.
try:
@@ -222,7 +222,7 @@
raise
# Update all data structures.
- self.update_data_structures(data, value)
+ self.update_data_structures_spin(data, value)
def copy(self, run1=None, run2=None, ri_label=None, frq_label=None):
@@ -296,7 +296,7 @@
error = data1.relax_error[index]
# Update all data structures for run2.
- self.update_data_structures(data2, value, error)
+ self.update_data_structures_spin(data2, value, error)
def data_init(self, container):
@@ -606,7 +606,7 @@
self.data_init(relax_data_store[relax_data_store.current_pipe])
# Update the global data.
- self.update_global_data_structures()
+ self.update_data_structures_pipe()
# Residue specific data.
@@ -638,7 +638,7 @@
raise RelaxNoSpinError, id
# Update all data structures.
- self.update_data_structures(spin, value, error)
+ self.update_data_structures_spin(spin, value, error)
def return_value(self, run, i, data_type):
@@ -690,7 +690,72 @@
return False
- def update_data_structures(self, spin=None, ri_label=None,
frq_label=None, frq=None, value=None, error=None):
+ def update_data_structures_pipe(self, 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 = relax_data_store[relax_data_store.current_pipe]
+
+ # Initialise the relaxation data structures (if needed).
+ self.data_init(cdp)
+
+ # 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(self, 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.
@@ -776,71 +841,6 @@
spin.noe_r1_table[j] = spin.num_ri - 1
- def update_global_data_structures(self, 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 = relax_data_store[relax_data_store.current_pipe]
-
- # Initialise the relaxation data structures (if needed).
- self.data_init(cdp)
-
- # 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 write(self, run=None, ri_label=None, frq_label=None, file=None,
dir=None, force=0):
"""Function for writing relaxation data."""
r4107 - /1.3/specific_fns/relax_data.py