Author: bugman
Date: Mon Jan 12 14:24:35 2009
New Revision: 8413
URL: http://svn.gna.org/viewcvs/relax?rev=8413&view=rev
Log:
Modified __atom_index() to work within the MolContainer.
Modified:
branches/multi_structure/generic_fns/structure/internal.py
Modified: branches/multi_structure/generic_fns/structure/internal.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/internal.py?rev=8413&r1=8412&r2=8413&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/internal.py (original)
+++ branches/multi_structure/generic_fns/structure/internal.py Mon Jan 12
14:24:35 2009
@@ -1153,29 +1153,20 @@
self.z = []
- def __atom_index(self, atom_num, struct_index):
+ def __atom_index(self, atom_num):
"""Find the atom index corresponding to the given atom number.
@param atom_num: The atom number to find the index of.
@type atom_num: int
- @param struct_index: The index of the structural container to
extract the atom index
- from.
- @type struct_index: int
@return: The atom index corresponding to the atom.
@rtype: int
"""
- # Loop over the structures.
- for i in xrange(self.num):
- # Skip non-matching structures.
- if struct_index != None and struct_index != i:
- continue
-
- # Loop over the atoms.
- for j in xrange(len(self.structural_data[i].atom_num)):
- # Return the index.
- if self.structural_data[i].atom_num[j] == atom_num:
- return j
+ # Loop over the atoms.
+ for j in xrange(len(self.atom_num)):
+ # Return the index.
+ if self.atom_num[j] == atom_num:
+ return j
# Should not be here, the PDB connect records are incorrect.
warn(RelaxWarning("The atom number " + `atom_num` + " from the CONECT
record cannot be found within the ATOM and HETATM records."))
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