Author: bugman
Date: Sun May 4 11:46:52 2008
New Revision: 6064
URL: http://svn.gna.org/viewcvs/relax?rev=6064&view=rev
Log:
Shifted all the naming 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/molecule.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=6064&r1=6063&r2=6064&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 11:46:52 2008
@@ -1120,6 +1120,80 @@
yield mol
+def name_molecule(mol_id, new_name=None):
+ """Function for renaming molecules.
+
+ @param mol_id: The identifier string for the molecule to rename.
+ @type mol_id: str
+ @param new_name: The new molecule name.
+ @type new_name: str
+ """
+
+ # Split up the selection string.
+ mol_token, res_token, spin_token = tokenise(mol_id)
+
+ # Disallow spin selections.
+ if spin_token != None:
+ raise RelaxSpinSelectDisallowError
+
+ # Disallow residue selections.
+ if res_token != None:
+ raise RelaxResSelectDisallowError
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Parse the tokens.
+ molecules = parse_token(mol_token)
+
+ # Get the single molecule data container.
+ mol = return_molecule(mol_id)
+
+ # Rename the molecule is there is a match.
+ if mol:
+ mol.name = new_name
+
+
+def name_residue(res_id, new_name=None):
+ """Function for renaming residues.
+
+ @param res_id: The identifier string for the residue(s) to rename.
+ @type res_id: str
+ @param new_name: The new residue name.
+ @type new_name: str
+ """
+
+ # 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)
+
+ # 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.name = new_name
+
+
+def name_spin(spin_id=None, name=None):
+ """Name the spins.
+
+ @param spin_id: The spin identification string.
+ @type spin_id: str
+ @param name: The new spin name.
+ @type name: str
+ """
+
+ # Rename the spin.
+ for spin in spin_loop(spin_id):
+ spin.name = name
+
+
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/molecule.py
URL:
http://svn.gna.org/viewcvs/relax/branches/mol_res_spin_module_rename/generic_fns/molecule.py?rev=6064&r1=6063&r2=6064&view=diff
==============================================================================
--- branches/mol_res_spin_module_rename/generic_fns/molecule.py (original)
+++ branches/mol_res_spin_module_rename/generic_fns/molecule.py Sun May 4
11:46:52 2008
@@ -33,35 +33,4 @@
"""
-def name_molecule(mol_id, new_name=None):
- """Function for renaming molecules.
- @param mol_id: The identifier string for the molecule to rename.
- @type mol_id: str
- @param new_name: The new molecule name.
- @type new_name: str
- """
-
- # Split up the selection string.
- mol_token, res_token, spin_token = tokenise(mol_id)
-
- # Disallow spin selections.
- if spin_token != None:
- raise RelaxSpinSelectDisallowError
-
- # Disallow residue selections.
- if res_token != None:
- raise RelaxResSelectDisallowError
-
- # Alias the current data pipe.
- cdp = relax_data_store[relax_data_store.current_pipe]
-
- # Parse the tokens.
- molecules = parse_token(mol_token)
-
- # Get the single molecule data container.
- mol = return_molecule(mol_id)
-
- # Rename the molecule is there is a match.
- if mol:
- mol.name = new_name
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=6064&r1=6063&r2=6064&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
11:46:52 2008
@@ -31,32 +31,6 @@
This touches part of the molecule-residue-spin data structure.
"""
-
-
-def name_residue(res_id, new_name=None):
- """Function for renaming residues.
-
- @param res_id: The identifier string for the residue(s) to rename.
- @type res_id: str
- @param new_name: The new residue name.
- @type new_name: str
- """
-
- # 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)
-
- # 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.name = new_name
def number_residue(res_id, new_number=None):
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=6064&r1=6063&r2=6064&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
11:46:52 2008
@@ -33,20 +33,6 @@
"""
-def name_spin(spin_id=None, name=None):
- """Name the spins.
-
- @param spin_id: The spin identification string.
- @type spin_id: str
- @param name: The new spin name.
- @type name: str
- """
-
- # Rename the spin.
- for spin in spin_loop(spin_id):
- spin.name = name
-
-
def number_spin(spin_id=None, number=None):
"""Number the spins.
r6064 - in /branches/mol_res_spin_module_rename/generic_fns: mol_res_spin.py molecule.py residue.py spin.py