Author: bugman
Date: Sun May 4 11:48:17 2008
New Revision: 6065
URL: http://svn.gna.org/viewcvs/relax?rev=6065&view=rev
Log:
Shifted all the numbering functions into generic_fns.mol_res_spin.
Modified:
branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py
branches/mol_res_spin_module_rename/generic_fns/residue.py
branches/mol_res_spin_module_rename/generic_fns/spin.py
Modified: branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py?rev=6065&r1=6064&r2=6065&view=diff
==============================================================================
--- branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py (original)
+++ branches/mol_res_spin_module_rename/generic_fns/mol_res_spin.py Sun May
4 11:48:17 2008
@@ -1194,6 +1194,65 @@
spin.name = name
+def number_residue(res_id, new_number=None):
+ """Function for renumbering residues.
+
+ @param res_id: The identifier string for the residue to renumber.
+ @type res_id: str
+ @param new_number: The new residue number.
+ @type new_number: int
+ """
+
+ # Split up the selection string.
+ mol_token, res_token, spin_token = tokenise(res_id)
+
+ # Disallow spin selections.
+ if spin_token != None:
+ raise RelaxSpinSelectDisallowError
+
+ # Parse the tokens.
+ residues = parse_token(res_token)
+
+ # Catch multiple renumberings!
+ number = 0
+ for res in residue_loop(res_id):
+ if res.num in residues or res.name in residues:
+ number = number + 1
+
+ # Fail if multiple residues are numbered.
+ if number > 1:
+ raise RelaxError, "The renumbering of multiple residues is
disallowed."
+
+ # Residue loop.
+ for res in residue_loop(res_id):
+ # Rename the residue is there is a match.
+ if res.num in residues or res.name in residues:
+ res.num = new_number
+
+
+def number_spin(spin_id=None, number=None):
+ """Number the spins.
+
+ @param spin_id: The spin identification string.
+ @type spin_id: str
+ @param number: The new spin number.
+ @type number: int
+ """
+
+ # Catch multiple renumberings!
+ i = 0
+ for spin in spin_loop(spin_id):
+ i = i + 1
+
+ # Fail if multiple spins are numbered.
+ if i > 1:
+ raise RelaxError, "The numbering of multiple spins is disallowed, as
each spin requires a unique number."
+
+ # Rename the spin.
+ for spin in spin_loop(spin_id):
+ spin.num = number
+
+
def parse_token(token):
"""Parse the token string and return a list of identifying numbers and
names.
Modified: branches/mol_res_spin_module_rename/generic_fns/residue.py
URL:
http://svn.gna.org/viewcvs/relax/branches/mol_res_spin_module_rename/generic_fns/residue.py?rev=6065&r1=6064&r2=6065&view=diff
==============================================================================
--- branches/mol_res_spin_module_rename/generic_fns/residue.py (original)
+++ branches/mol_res_spin_module_rename/generic_fns/residue.py Sun May 4
11:48:17 2008
@@ -33,37 +33,4 @@
"""
-def number_residue(res_id, new_number=None):
- """Function for renumbering residues.
- @param res_id: The identifier string for the residue to renumber.
- @type res_id: str
- @param new_number: The new residue number.
- @type new_number: int
- """
-
- # Split up the selection string.
- mol_token, res_token, spin_token = tokenise(res_id)
-
- # Disallow spin selections.
- if spin_token != None:
- raise RelaxSpinSelectDisallowError
-
- # Parse the tokens.
- residues = parse_token(res_token)
-
- # Catch multiple renumberings!
- number = 0
- for res in residue_loop(res_id):
- if res.num in residues or res.name in residues:
- number = number + 1
-
- # Fail if multiple residues are numbered.
- if number > 1:
- raise RelaxError, "The renumbering of multiple residues is
disallowed."
-
- # Residue loop.
- for res in residue_loop(res_id):
- # Rename the residue is there is a match.
- if res.num in residues or res.name in residues:
- res.num = new_number
Modified: branches/mol_res_spin_module_rename/generic_fns/spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/mol_res_spin_module_rename/generic_fns/spin.py?rev=6065&r1=6064&r2=6065&view=diff
==============================================================================
--- branches/mol_res_spin_module_rename/generic_fns/spin.py (original)
+++ branches/mol_res_spin_module_rename/generic_fns/spin.py Sun May 4
11:48:17 2008
@@ -32,25 +32,3 @@
This touches part of the molecule-residue-spin data structure.
"""
-
-def number_spin(spin_id=None, number=None):
- """Number the spins.
-
- @param spin_id: The spin identification string.
- @type spin_id: str
- @param number: The new spin number.
- @type number: int
- """
-
- # Catch multiple renumberings!
- i = 0
- for spin in spin_loop(spin_id):
- i = i + 1
-
- # Fail if multiple spins are numbered.
- if i > 1:
- raise RelaxError, "The numbering of multiple spins is disallowed, as
each spin requires a unique number."
-
- # Rename the spin.
- for spin in spin_loop(spin_id):
- spin.num = number
r6065 - in /branches/mol_res_spin_module_rename/generic_fns: mol_res_spin.py residue.py spin.py