Author: macraild
Date: Fri Mar 30 15:35:39 2007
New Revision: 3255
URL: http://svn.gna.org/viewcvs/relax?rev=3255&view=rev
Log:
Improvements and unit-tests for spin selection
Modified:
1.3/generic_fns/selection.py
1.3/test_suite/unit_tests/generic_fns/test_selection.py
Modified: 1.3/generic_fns/selection.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/selection.py?rev=3255&r1=3254&r2=3255&view=diff
==============================================================================
--- 1.3/generic_fns/selection.py (original)
+++ 1.3/generic_fns/selection.py Fri Mar 30 15:35:39 2007
@@ -60,63 +60,62 @@
class Selection(object):
"""An object containing mol-res-spin selections"""
- def __init__(self, selectString):
+ def __init__(self, select_string):
self._union = None
self._intersect = None
- self.molecules = None
- self.residues = None
- self.spins = None
-
- if not selectString:
+ self.molecules = []
+ self.residues = []
+ self.spins = []
+
+ if not select_string:
return
- if '&' in selectString:
- and_split = selectString.split('&')
- Selection.__init__(self, and_split[0].strip())
- part1 = Selection(and_split[1].strip())
- self.intersection(part1)
-
- elif '|' in selectString:
- and_split = selectString.split('|')
- Selection.__init__(self, and_split[0].strip())
- part1 = Selection(and_split[1].strip())
- self.union(part1)
+ if '&' in select_string:
+ and_split = select_string.split('&')
+ sel0 = Selection(and_split[0].strip())
+ sel1 = Selection(and_split[1].strip())
+ self.intersection(sel0, sel1)
+
+ elif '|' in select_string:
+ and_split = select_string.split('|')
+ sel0 = Selection(and_split[0].strip())
+ sel1 = Selection(and_split[1].strip())
+ self.union(sel0, sel1)
else:
- mol_token, res_token, spin_token = tokenise(selectString)
+ mol_token, res_token, spin_token = tokenise(select_string)
self.molecules = parse_token(mol_token)
self.residues = parse_token(res_token)
self.spins = parse_token(spin_token)
def __contains__(self, obj):
-
- in_self = False
- if isinstance(obj, MoleculeContainer) and obj.name in self.molecules:
- in_self = True
+
+ if self._union:
+ return (obj in self._union[0]) or (obj in self._union[1])
+ elif self._intersect:
+ return (obj in self._intersect[0]) and (obj in
self._intersect[1])
+ elif isinstance(obj, MoleculeContainer) and obj.name in
self.molecules:
+ return True
elif isinstance(obj, ResidueContainer) and obj.name in self.residues:
- in_self = True
+ return True
elif isinstance(obj, SpinContainer) and obj.name in self.spins:
- in_self = True
- if self._union:
- return in_self or (obj in self._union)
- if self._intersect:
- return in_self and (obj in self._union)
+ return True
else:
- return in_self
-
- def intersection(self, selectObj):
+ return False
+
+ def intersection(self, select_obj0, select_obj1):
if self._union or self._intersect:
raise RelaxError, "Cannot define multiple Boolean relationships
between Selection objects"
- self._intersect = selectObj
+ self._intersect = (select_obj0, select_obj1)
- def union(self, selectObj):
+ def union(self, select_obj0, select_obj1):
if self._union or self._intersect:
raise RelaxError, "Cannot define multiple Boolean relationships
between Selection objects"
- self._union = selectObj
+ self._union = (select_obj0, select_obj1)
def desel_all(self, run=None):
@@ -314,7 +313,7 @@
# No token.
if token == None:
- return None
+ return []
# Split by the ',' character.
elements = split(',', token)
Modified: 1.3/test_suite/unit_tests/generic_fns/test_selection.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/generic_fns/test_selection.py?rev=3255&r1=3254&r2=3255&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/generic_fns/test_selection.py (original)
+++ 1.3/test_suite/unit_tests/generic_fns/test_selection.py Fri Mar 30
15:35:39 2007
@@ -359,6 +359,11 @@
# Increment i.
i = i + 1
+ def test_boolean_selection1(self):
+ """Test boolean mol-res-spin selections."""
+
+ # The selection object:
+ sel = selection.Selection("#Ap4Aase | #RNA@N5")
def test_tokenise1(self):
"""Test the generic_fns.selection.tokenise() function on the string
'@1'."""
@@ -652,3 +657,31 @@
# Tokenise an invalid string.
self.assertRaises(RelaxError, selection.tokenise, '')
+
+
+ def test_boolean_or_selection(self):
+ """Test boolean or in mol-res-spin selections."""
+
+ self.assert_(list(selection.spin_loop("#Ap4Aase | #RNA@N5")) ==
list(selection.spin_loop())
+
+
+ def test_boolean_and_selection(self):
+ """Test boolean and in mol-res-spin selections."""
+
+ # The selection loop:
+ sel = selection.residue_loop("#Ap4Aase:4 & :Pro")
+
+ # Test:
+ for res in sel:
+ self.assert_(res.name == "Pro" and res.num == 4)
+
+
+ def test_boolean_complex_selection(self):
+ """Test complex boolean mol-res-spin selections."""
+ a syntax error
+ # The selection loops:
+ sel = selection.residue_loop("#Ap4Aase:4 & :Pro | #RNA@N5")
+
+ # Test:
+ for res in sel:
+ self.assert_(res.num in [-5,-4,4])
r3255 - in /1.3: generic_fns/selection.py test_suite/unit_tests/generic_fns/test_selection.py