Author: bugman
Date: Sun May 4 11:41:39 2008
New Revision: 6061
URL: http://svn.gna.org/viewcvs/relax?rev=6061&view=rev
Log:
Shifted all the delete 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=6061&r1=6060&r2=6061&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 11:41:39 2008
@@ -778,6 +778,127 @@
res_to_cont.spin.add_item(spin_num=spin_num, spin_name=spin_name)
+def delete_molecule(mol_id=None):
+ """Function for deleting molecules from the current data pipe.
+
+ @param mol_id: The molecule identifier string.
+ @type mol_id: 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
+
+ # Parse the token.
+ molecules = parse_token(mol_token)
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # List of indecies to delete.
+ indecies = []
+
+ # Loop over the molecules.
+ for i in xrange(len(cdp.mol)):
+ # Remove the residue is there is a match.
+ if cdp.mol[i].name in molecules:
+ indecies.append(i)
+
+ # Reverse the indecies.
+ indecies.reverse()
+
+ # Delete the molecules.
+ for index in indecies:
+ cdp.mol.pop(index)
+
+ # Create an empty residue container if no residues remain.
+ if len(cdp.mol) == 0:
+ cdp.mol.add_item()
+
+
+def delete_residue(res_id=None):
+ """Function for deleting residues from the current data pipe.
+
+ @param res_id: The molecule and residue identifier string.
+ @type res_id: 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)
+
+ # Molecule loop.
+ for mol in molecule_loop(mol_token):
+ # List of indecies to delete.
+ indecies = []
+
+ # Loop over the residues of the molecule.
+ for i in xrange(len(mol.res)):
+ # Remove the residue is there is a match.
+ if mol.res[i].num in residues or mol.res[i].name in residues:
+ indecies.append(i)
+
+ # Reverse the indecies.
+ indecies.reverse()
+
+ # Delete the residues.
+ for index in indecies:
+ mol.res.pop(index)
+
+ # Create an empty residue container if no residues remain.
+ if len(mol.res) == 0:
+ mol.res.add_item()
+
+
+def delete_spin(spin_id=None):
+ """Function for deleting spins from the current data pipe.
+
+ @param spin_id: The molecule, residue, and spin identifier string.
+ @type spin_id: str
+ """
+
+ # Split up the selection string.
+ mol_token, res_token, spin_token = tokenise(spin_id)
+
+ # Parse the tokens.
+ spins = parse_token(spin_token)
+
+ # Residue loop.
+ for res in residue_loop(spin_id):
+ # List of indecies to delete.
+ indecies = []
+
+ # Loop over the spins of the residue.
+ for i in xrange(len(res.spin)):
+ # Store the spin indecies for deletion.
+ if res.spin[i].num in spins or res.spin[i].name in spins:
+ indecies.append(i)
+
+ # Reverse the indecies.
+ indecies.reverse()
+
+ # Delete the spins.
+ for index in indecies:
+ res.spin.pop(index)
+
+ # Create an empty spin container if no spins remain.
+ if len(res.spin) == 0:
+ res.spin.add_item()
+
+
def exists_mol_res_spin_data():
"""Function for determining if any molecule-residue-spin data exists.
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=6061&r1=6060&r2=6061&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
11:41:39 2008
@@ -31,51 +31,6 @@
This touches part of the molecule-residue-spin data structure.
"""
-
-
-def delete_molecule(mol_id=None):
- """Function for deleting molecules from the current data pipe.
-
- @param mol_id: The molecule identifier string.
- @type mol_id: 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
-
- # Parse the token.
- molecules = parse_token(mol_token)
-
- # Alias the current data pipe.
- cdp = relax_data_store[relax_data_store.current_pipe]
-
- # List of indecies to delete.
- indecies = []
-
- # Loop over the molecules.
- for i in xrange(len(cdp.mol)):
- # Remove the residue is there is a match.
- if cdp.mol[i].name in molecules:
- indecies.append(i)
-
- # Reverse the indecies.
- indecies.reverse()
-
- # Delete the molecules.
- for index in indecies:
- cdp.mol.pop(index)
-
- # Create an empty residue container if no residues remain.
- if len(cdp.mol) == 0:
- cdp.mol.add_item()
def display_molecule(mol_id=None):
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=6061&r1=6060&r2=6061&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
11:41:39 2008
@@ -31,46 +31,6 @@
This touches part of the molecule-residue-spin data structure.
"""
-
-
-def delete_residue(res_id=None):
- """Function for deleting residues from the current data pipe.
-
- @param res_id: The molecule and residue identifier string.
- @type res_id: 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)
-
- # Molecule loop.
- for mol in molecule_loop(mol_token):
- # List of indecies to delete.
- indecies = []
-
- # Loop over the residues of the molecule.
- for i in xrange(len(mol.res)):
- # Remove the residue is there is a match.
- if mol.res[i].num in residues or mol.res[i].name in residues:
- indecies.append(i)
-
- # Reverse the indecies.
- indecies.reverse()
-
- # Delete the residues.
- for index in indecies:
- mol.res.pop(index)
-
- # Create an empty residue container if no residues remain.
- if len(mol.res) == 0:
- mol.res.add_item()
def display_residue(res_id=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=6061&r1=6060&r2=6061&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
11:41:39 2008
@@ -31,42 +31,6 @@
This touches part of the molecule-residue-spin data structure.
"""
-
-
-def delete_spin(spin_id=None):
- """Function for deleting spins from the current data pipe.
-
- @param spin_id: The molecule, residue, and spin identifier string.
- @type spin_id: str
- """
-
- # Split up the selection string.
- mol_token, res_token, spin_token = tokenise(spin_id)
-
- # Parse the tokens.
- spins = parse_token(spin_token)
-
- # Residue loop.
- for res in residue_loop(spin_id):
- # List of indecies to delete.
- indecies = []
-
- # Loop over the spins of the residue.
- for i in xrange(len(res.spin)):
- # Store the spin indecies for deletion.
- if res.spin[i].num in spins or res.spin[i].name in spins:
- indecies.append(i)
-
- # Reverse the indecies.
- indecies.reverse()
-
- # Delete the spins.
- for index in indecies:
- res.spin.pop(index)
-
- # Create an empty spin container if no spins remain.
- if len(res.spin) == 0:
- res.spin.add_item()
def display_spin(spin_id=None):
r6061 - in /branches/mol_res_spin_module_rename/generic_fns: mol_res_spin.py molecule.py residue.py spin.py