Author: bugman
Date: Tue Oct 6 17:35:51 2009
New Revision: 9590
URL: http://svn.gna.org/viewcvs/relax?rev=9590&view=rev
Log:
Modified parse_token() to handle multiple tokens simultaneously.
Modified:
1.3/generic_fns/mol_res_spin.py
Modified: 1.3/generic_fns/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/mol_res_spin.py?rev=9590&r1=9589&r2=9590&view=diff
==============================================================================
--- 1.3/generic_fns/mol_res_spin.py (original)
+++ 1.3/generic_fns/mol_res_spin.py Tue Oct 6 17:35:51 2009
@@ -885,7 +885,7 @@
def create_pseudo_spin(spin_name=None, spin_num=None, res_id=None,
members=None, averaging=None):
"""Add a pseudo-atom spin container into the relax data store.
-
+
@param spin_name: The name of the new pseudo-spin.
@type spin_name: str
@param spin_num: The identification number of the new spin.
@@ -960,7 +960,7 @@
def create_spin(spin_num=None, spin_name=None, res_num=None, res_name=None,
mol_name=None):
"""Add a spin into the relax data store (and molecule and residue if
necessary).
-
+
@keyword spin_num: The number of the new spin.
@type spin_num: int
@keyword spin_name: The name of the new spin.
@@ -1486,7 +1486,7 @@
warn(RelaxWarning("The molecule '%s' is already named. Set the
force flag to rename." % mol_id))
else:
mol.name = name
-
+
def name_residue(res_id, name=None, force=False):
"""Name the residues.
@@ -1613,70 +1613,78 @@
if token == None:
return []
- # Split by the ',' character.
- elements = split(',', token)
-
- # Loop over the elements.
- list = []
- for element in elements:
- # Strip all leading and trailing whitespace.
- element = strip(element)
-
- # Find all '-' characters (ignoring the first character, i.e. a
negative number).
- indices= []
- for i in xrange(1, len(element)):
- if element[i] == '-':
- indices.append(i)
-
- # Range.
- valid_range = True
- if indices:
- # Invalid range element, only one range char '-' and one
negative sign is allowed.
- if len(indices) > 2:
- if verbosity:
- print(("The range element " + repr(element) + " is
invalid. Assuming the '-' character does not specify a range."))
- valid_range = False
-
- # Convert the two numbers to integers.
- try:
- start = int(element[:indices[0]])
- end = int(element[indices[0]+1:])
- except ValueError:
- if verbosity:
- print(("The range element " + repr(element) + " is
invalid as either the start or end of the range are not integers. Assuming
the '-' character does not specify a range."))
- valid_range = False
-
- # Test that the starting number is less than the end.
- if valid_range and start >= end:
- if verbosity:
- print(("The starting number of the range element " +
repr(element) + " needs to be less than the end number. Assuming the '-'
character does not specify a range."))
- valid_range = False
-
- # Create the range and append it to the list.
- if valid_range:
- for i in range(start, end+1):
- list.append(i)
-
- # Just append the string (even though it might be junk).
+ # Convert to a list.
+ if not isinstance(token, list):
+ tokens = [token]
+ else:
+ tokens = token
+
+ # Loop over the tokens.
+ id_list = []
+ for token in tokens:
+ # Split by the ',' character.
+ elements = split(',', token)
+
+ # Loop over the elements.
+ for element in elements:
+ # Strip all leading and trailing whitespace.
+ element = strip(element)
+
+ # Find all '-' characters (ignoring the first character, i.e. a
negative number).
+ indices= []
+ for i in xrange(1, len(element)):
+ if element[i] == '-':
+ indices.append(i)
+
+ # Range.
+ valid_range = True
+ if indices:
+ # Invalid range element, only one range char '-' and one
negative sign is allowed.
+ if len(indices) > 2:
+ if verbosity:
+ print(("The range element " + repr(element) + " is
invalid. Assuming the '-' character does not specify a range."))
+ valid_range = False
+
+ # Convert the two numbers to integers.
+ try:
+ start = int(element[:indices[0]])
+ end = int(element[indices[0]+1:])
+ except ValueError:
+ if verbosity:
+ print(("The range element " + repr(element) + " is
invalid as either the start or end of the range are not integers. Assuming
the '-' character does not specify a range."))
+ valid_range = False
+
+ # Test that the starting number is less than the end.
+ if valid_range and start >= end:
+ if verbosity:
+ print(("The starting number of the range element " +
repr(element) + " needs to be less than the end number. Assuming the '-'
character does not specify a range."))
+ valid_range = False
+
+ # Create the range and append it to the list.
+ if valid_range:
+ for i in range(start, end+1):
+ id_list.append(i)
+
+ # Just append the string (even though it might be junk).
+ else:
+ id_list.append(element)
+
+ # Number or name.
else:
- list.append(element)
-
- # Number or name.
- else:
- # Try converting the element into an integer.
- try:
- element = int(element)
- except ValueError:
- pass
-
- # Append the element.
- list.append(element)
+ # Try converting the element into an integer.
+ try:
+ element = int(element)
+ except ValueError:
+ pass
+
+ # Append the element.
+ id_list.append(element)
# Sort the list.
- list.sort()
+ id_list.sort()
# Return the identifying list.
- return list
+ return id_list
def residue_loop(selection=None, pipe=None, full_info=False):
@@ -2098,8 +2106,6 @@
"""
# Split up the spin ID.
- print id
- print tokenise(id)
mol_token, res_token, spin_token = tokenise(id)
mol_info = parse_token(mol_token)
res_info = parse_token(res_token)
@@ -2376,9 +2382,6 @@
if pos == 'spin':
spin_info = spin_info + selection[i]
- print("Mol info: %s" % mol_info)
- print("Res info: %s" % res_info)
- print("Spin info: %s" % spin_info)
# Molecules.
############
r9590 - /1.3/generic_fns/mol_res_spin.py