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fix FreeChemicalFeatures pickling and some syntax problems in testFeatures.py

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This commit is contained in:
Greg Landrum
2014-06-24 05:24:28 +02:00
parent 6e46de5a85
commit dde589955e
2 changed files with 6 additions and 4 deletions
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4
Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp
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@@ -25,7 +25,9 @@ namespace ChemicalFeatures {
static python::tuple
getinitargs(const FreeChemicalFeature& self)
{
return python::make_tuple(self.toString());
std::string res=self.toString();
python::object retval = python::object(python::handle<>(PyBytes_FromStringAndSize(res.c_str(),res.length())));
return python::make_tuple(retval);
};
};

6
Code/ChemicalFeatures/Wrap/testFeatures.py
View File

@@ -69,14 +69,14 @@ class TestCase(unittest.TestCase):
def testPickle(self):
ffeat = ChemicalFeatures.FreeChemicalFeature("HBondDonor", "HBondDonor1", geom.Point3D(1.0, 2.0, 3.0),123)
pkl = cPickle.dumps(ffeat)
ffeat2 = cPickle.loads(pkl)
ffeat2 = cPickle.loads(pkl,encoding='latin1')
self.assertTrue(ffeat2.GetId()==ffeat.GetId());
self.assertTrue(ffeat2.GetFamily()==ffeat.GetFamily())
self.assertTrue(ffeat2.GetType()==ffeat.GetType())
self.assertTrue(ptFeq(ffeat2.GetPos(),ffeat.GetPos()))
# Check that the old pickled versions have not been broken
inF = file(os.path.join(RDConfig.RDBaseDir,
inF = open(os.path.join(RDConfig.RDBaseDir,
'Code/ChemicalFeatures/Wrap/testData/feat.pkl'),'rb')
ffeat2=cPickle.load(inF)
# this version (1.0) does not have an id in the byte stream
@@ -89,7 +89,7 @@ class TestCase(unittest.TestCase):
# uncomment the following to generate (overrwrite) new version of pickled
# data file
#cPickle.dump(ffeat,file(os.path.join(RDConfig.RDBaseDir, 'Code/ChemicalFeatures/Wrap/testData/featv2.pkl'),'wb+'))
inF = file(os.path.join(RDConfig.RDBaseDir,
inF = open(os.path.join(RDConfig.RDBaseDir,
'Code/ChemicalFeatures/Wrap/testData/featv2.pkl'),'rb')
ffeat2=cPickle.load(inF)
self.assertTrue(ffeat2.GetId()==ffeat.GetId());