Author: bugman
Date: Sun Jun 16 19:09:19 2013
New Revision: 20160
URL: http://svn.gna.org/viewcvs/relax?rev=20160&view=rev
Log:
Shifted the spin_id_to_data_list() function from pipe_control.selection to
lib.selection.
This is because the selection object requires this function, and the function
has nothing to do with
the relax data store.
Modified:
trunk/lib/selection.py
trunk/pipe_control/mol_res_spin.py
trunk/pipe_control/selection.py
Modified: trunk/lib/selection.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/selection.py?rev=20160&r1=20159&r2=20160&view=diff
==============================================================================
--- trunk/lib/selection.py (original)
+++ trunk/lib/selection.py Sun Jun 16 19:09:19 2013
@@ -276,6 +276,78 @@
return mol_token, res_token, spin_token
+def spin_id_to_data_list(id):
+ """Convert the single spin ID string into a list of the mol, res, and
spin names and numbers.
+
+ @param id: The spin ID string.
+ @type id: str
+ @return: The molecule name, the residue number and name, and the spin
number and name.
+ @rtype: str, int, str, int, str
+ """
+
+ # Split up the spin ID.
+ mol_token, res_token, spin_token = tokenise(id)
+ mol_info = parse_token(mol_token)
+ res_info = parse_token(res_token)
+ spin_info = parse_token(spin_token)
+
+ # Molecule name.
+ mol_name = None
+ if len(mol_info) > 1:
+ raise RelaxError("The single spin ID '%s' should only belong to one
molecule, not %s." % (id, mol_info))
+ if len(mol_info) == 1:
+ mol_name = mol_info[0]
+
+ # Residue info.
+ res_names = []
+ res_nums = []
+ for i in range(len(res_info)):
+ try:
+ res_nums.append(int(res_info[i]))
+ except ValueError:
+ res_names.append(res_info[i])
+
+ # Residue number.
+ res_num = None
+ if len(res_nums) > 1:
+ raise RelaxError("The single spin ID '%s' should only belong to one
residue number, not %s." % (id, res_info))
+ elif len(res_nums) == 1:
+ res_num = res_nums[0]
+
+ # Residue name.
+ res_name = None
+ if len(res_names) > 1:
+ raise RelaxError("The single spin ID '%s' should only belong to one
residue name, not %s." % (id, res_info))
+ elif len(res_names) == 1:
+ res_name = res_names[0]
+
+ # Spin info.
+ spin_names = []
+ spin_nums = []
+ for i in range(len(spin_info)):
+ try:
+ spin_nums.append(int(spin_info[i]))
+ except ValueError:
+ spin_names.append(spin_info[i])
+
+ # Spin number.
+ spin_num = None
+ if len(spin_nums) > 1:
+ raise RelaxError("The single spin ID '%s' should only belong to one
spin number, not %s." % (id, spin_info))
+ elif len(spin_nums) == 1:
+ spin_num = spin_nums[0]
+
+ # Spin name.
+ spin_name = None
+ if len(spin_names) > 1:
+ raise RelaxError("The single spin ID '%s' should only belong to one
spin name, not %s." % (id, spin_info))
+ elif len(spin_names) == 1:
+ spin_name = spin_names[0]
+
+ # Return the data.
+ return mol_name, res_num, res_name, spin_num, spin_name
+
+
class Selection(object):
"""An object containing mol-res-spin selections.
Modified: trunk/pipe_control/mol_res_spin.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/mol_res_spin.py?rev=20160&r1=20159&r2=20160&view=diff
==============================================================================
--- trunk/pipe_control/mol_res_spin.py (original)
+++ trunk/pipe_control/mol_res_spin.py Sun Jun 16 19:09:19 2013
@@ -3087,78 +3087,6 @@
spin.isotope = isotope
-def spin_id_to_data_list(id):
- """Convert the single spin ID string into a list of the mol, res, and
spin names and numbers.
-
- @param id: The spin ID string.
- @type id: str
- @return: The molecule name, the residue number and name, and the spin
number and name.
- @rtype: str, int, str, int, str
- """
-
- # Split up the spin ID.
- mol_token, res_token, spin_token = tokenise(id)
- mol_info = parse_token(mol_token)
- res_info = parse_token(res_token)
- spin_info = parse_token(spin_token)
-
- # Molecule name.
- mol_name = None
- if len(mol_info) > 1:
- raise RelaxError("The single spin ID '%s' should only belong to one
molecule, not %s." % (id, mol_info))
- if len(mol_info) == 1:
- mol_name = mol_info[0]
-
- # Residue info.
- res_names = []
- res_nums = []
- for i in range(len(res_info)):
- try:
- res_nums.append(int(res_info[i]))
- except ValueError:
- res_names.append(res_info[i])
-
- # Residue number.
- res_num = None
- if len(res_nums) > 1:
- raise RelaxError("The single spin ID '%s' should only belong to one
residue number, not %s." % (id, res_info))
- elif len(res_nums) == 1:
- res_num = res_nums[0]
-
- # Residue name.
- res_name = None
- if len(res_names) > 1:
- raise RelaxError("The single spin ID '%s' should only belong to one
residue name, not %s." % (id, res_info))
- elif len(res_names) == 1:
- res_name = res_names[0]
-
- # Spin info.
- spin_names = []
- spin_nums = []
- for i in range(len(spin_info)):
- try:
- spin_nums.append(int(spin_info[i]))
- except ValueError:
- spin_names.append(spin_info[i])
-
- # Spin number.
- spin_num = None
- if len(spin_nums) > 1:
- raise RelaxError("The single spin ID '%s' should only belong to one
spin number, not %s." % (id, spin_info))
- elif len(spin_nums) == 1:
- spin_num = spin_nums[0]
-
- # Spin name.
- spin_name = None
- if len(spin_names) > 1:
- raise RelaxError("The single spin ID '%s' should only belong to one
spin name, not %s." % (id, spin_info))
- elif len(spin_names) == 1:
- spin_name = spin_names[0]
-
- # Return the data.
- return mol_name, res_num, res_name, spin_num, spin_name
-
-
def spin_id_variants(dp=None, mol_index=None, res_index=None,
spin_index=None):
"""Generate a list of spin ID variants for the given set of molecule,
residue and spin indices.
Modified: trunk/pipe_control/selection.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/selection.py?rev=20160&r1=20159&r2=20160&view=diff
==============================================================================
--- trunk/pipe_control/selection.py (original)
+++ trunk/pipe_control/selection.py Sun Jun 16 19:09:19 2013
@@ -27,11 +27,11 @@
# relax module imports.
from pipe_control.interatomic import interatomic_loop
-from pipe_control.mol_res_spin import exists_mol_res_spin_data,
generate_spin_id_unique, return_spin, spin_id_to_data_list, spin_loop
+from pipe_control.mol_res_spin import exists_mol_res_spin_data,
generate_spin_id_unique, return_spin, spin_loop
from pipe_control import pipes
from lib.errors import RelaxError, RelaxNoDomainError, RelaxNoSequenceError
from lib.io import read_spin_data
-from lib.selection import Selection
+from lib.selection import Selection, spin_id_to_data_list
from lib.warnings import RelaxNoSpinWarning
from user_functions.data import Uf_tables; uf_tables = Uf_tables()
from user_functions.objects import Desc_container
r20160 - in /trunk: lib/selection.py pipe_control/mol_res_spin.py pipe_control/selection.py