Bugs item #3107510, was opened at 2010-11-11 21:06
Message generated for change (Tracker Item Submitted) made by baoilleach
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Category: Library Functions
Group: 2.3.x
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Noel O'Boyle (baoilleach)
Assigned to: Nobody/Anonymous (nobody)
Summary: Calling OBSmarts.GetUMapList affects GetMapList
Initial Comment:
>From Andrew Dalke:
It seems that GetUMapList interacts with the results of GetMapList.
def test_basic_match_behavior_which_I_did_not_expect(self):
mol = parse_smiles("c1ccccc1O")
pat = parse_smarts("c1ccccc1")
pat.Match(mol)
self.assertEquals(pat.NumMatches(), 12)
results = pat.GetUMapList()
self.assertEquals(pat.NumMatches(), 1)
results = pat.GetMapList()
# I really expected the following to be 12.
# It appears the UMapList does an in-place trim.
# XXX Is that the right/expected behavior?
self.assertEquals(pat.NumMatches(), 1)
self.assertEquals(len(results), 1)
pat.Match(mol)
# Here they are 12
results = pat.GetMapList()
self.assertEquals(pat.NumMatches(), 12)
results = pat.GetUMapList()
self.assertEquals(pat.NumMatches(), 1)
self.assertEquals(len(results), 1)
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