예제 #1
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 def test_LeafBondSelector_select_all_leaves(self):
     """
      test LeafBond select: all bonds
     """
     leafBndSel = LeafBondSelector()
     ats = self.mol.allAtoms
     bnds = ats.bonds[0]
     resultBnds = leafBndSel.select(bnds)
     #print 'all_leaves:len(resultBnds)=', len(resultBnds)
     self.assertEqual(len(resultBnds) , 150)
예제 #2
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 def test_LeafBondSelector_select_no_leaves(self):
     """
      test LeafBond select: no bonds
     """
     leafBndSel = LeafBondSelector()
     ats = self.mol.allAtoms[7:10]
     bnds = ats.bonds[0]
     resultBnds = leafBndSel.select(bnds)
     #print 'no_leaves:len(resultBnds)=', len(resultBnds)
     self.assertEqual(len(resultBnds) , 0)
 def test_LeafBondSelector_select_all_leaves(self):
     """
      test LeafBond select: all bonds
     """
     leafBndSel = LeafBondSelector()
     ats = self.mol.allAtoms
     bnds = ats.bonds[0]
     resultBnds = leafBndSel.select(bnds)
     #print 'all_leaves:len(resultBnds)=', len(resultBnds)
     self.assertEqual(len(resultBnds), 150)
 def test_LeafBondSelector_select_no_leaves(self):
     """
      test LeafBond select: no bonds
     """
     leafBndSel = LeafBondSelector()
     ats = self.mol.allAtoms[7:10]
     bnds = ats.bonds[0]
     resultBnds = leafBndSel.select(bnds)
     #print 'no_leaves:len(resultBnds)=', len(resultBnds)
     self.assertEqual(len(resultBnds), 0)
예제 #5
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 def test_LeafBondSelector_select_some_leaves(self):
     """
      test LeafBond select: some bonds
     """
     leafBndSel = LeafBondSelector()
     ats = self.mol.allAtoms[:10]
     bnds = ats.bonds[0]
     resultBnds = leafBndSel.select(bnds)
     #print 'some_leaves:len(resultBnds)=', len(resultBnds)
     #self.assertEqual(len(resultBnds) , 2)
     self.assertEqual(len(resultBnds) , 5)
 def test_LeafBondSelector_select_some_leaves(self):
     """
      test LeafBond select: some bonds
     """
     leafBndSel = LeafBondSelector()
     ats = self.mol.allAtoms[:10]
     bnds = ats.bonds[0]
     resultBnds = leafBndSel.select(bnds)
     #print 'some_leaves:len(resultBnds)=', len(resultBnds)
     #self.assertEqual(len(resultBnds) , 2)
     self.assertEqual(len(resultBnds), 5)