def test_select_add_mols_allAtoms(self):
     """
     test selecting with stringRepr of atoms of added mols
     """
     stringSel = CompoundStringSelector()
     selString = self.mols.allAtoms.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, self.mols.allAtoms)
     self.assertEquals(selString, "stringSel:::/+/protease:::")

 def test_select_subtract_mols(self):
     """
     test selecting with stringRepr of subtracted mols
     """
     stringSel = CompoundStringSelector()
     diff_mols = self.mols - self.mols1
     selString = diff_mols.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_mols)
     self.assertEquals(selString, "stringSel/+/protease/-/stringSel")

 def test_select_subtract_allAtoms(self):
     """
     test selecting with stringRepr of subtracted allAtoms
     """
     stringSel = CompoundStringSelector()
     diff_atoms = self.mols.allAtoms - self.mols1.allAtoms
     selString = diff_atoms.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_atoms)
     self.assertEquals(selString, "stringSel:::/+/protease:::/-/stringSel:::")

 def test_select_subtract_residues(self):
     """
     test selecting with stringRepr of subtracted residues
     """
     stringSel = CompoundStringSelector()
     diff_residues = self.mols.chains.residues - self.mols1.chains.residues
     selString = diff_residues.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_residues)
     self.assertEquals(selString, "stringSel::/+/protease::/-/stringSel::")

 def test_select_union_atoms_all(self):
     """
     test selecting with stringRepr of union 2X atoms returning single copy
     """
     stringSel = CompoundStringSelector()
     diff_atoms = self.mols1.chains.residues.atoms | self.mols1.chains.residues.atoms
     selString = diff_atoms.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_atoms)
     self.assertEquals(selected, self.mols1.chains.residues.atoms)
     self.assertEquals(selString, "stringSel:::")

 def test_select_union_mols_single(self):
     """
     test selecting with stringRepr of union 2X same mols returning single
     """
     stringSel = CompoundStringSelector()
     diff_mols = self.mols1 | self.mols1
     selString = diff_mols.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_mols)
     self.assertEquals(selected, self.mols1)
     self.assertEquals(selString, "stringSel")

 def test_select_intersect_residues_empty(self):
     """
     test selecting with stringRepr of empty intersected residues
     """
     stringSel = CompoundStringSelector()
     diff_residues = self.mols1.chains.residues & self.mols2.chains.residues
     selString = diff_residues.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_residues)
     self.assertEquals(selected, ResidueSet())
     self.assertEquals(selString, "stringSel::/&/protease::")

 def test_select_xor_chains(self):
     """
     test selecting with stringRepr of xor chains
     """
     stringSel = CompoundStringSelector()
     diff_chains = self.mols.chains ^ self.mols1.chains
     selString = diff_chains.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_chains)
     self.assertEquals(selected, self.mols2.chains)
     self.assertEquals(selString, "stringSel:/+/protease:/^/stringSel:")

 def test_select_xor_allAtoms_all(self):
     """
     test selecting with stringRepr of xor allAtoms returning all
     """
     stringSel = CompoundStringSelector()
     diff_atoms = self.mols1.allAtoms ^ self.mols2.allAtoms
     selString = diff_atoms.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_atoms)
     self.assertEquals(selected, self.mols.allAtoms)
     self.assertEquals(selString, "stringSel:::/^/protease:::")

 def test_select_xor_mols_all(self):
     """
     test selecting with stringRepr of xor mols returning all
     """
     stringSel = CompoundStringSelector()
     diff_mols = self.mols1 ^ self.mols2
     selString = diff_mols.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_mols)
     self.assertEquals(selected, self.mols)
     self.assertEquals(selString, "stringSel/^/protease")

 def test_select_xor_residues_all(self):
     """
     test selecting with stringRepr of xor residues returning all
     """
     stringSel = CompoundStringSelector()
     diff_residues = self.mols1.chains.residues ^ self.mols2.chains.residues
     selString = diff_residues.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_residues)
     self.assertEquals(selected, self.mols.chains.residues)
     self.assertEquals(selString, "stringSel::/^/protease::")

 def test_select_intersect_allAtoms(self):
     """
     test selecting with stringRepr of intersected allAtoms
     """
     stringSel = CompoundStringSelector()
     diff_atoms = self.mols1.allAtoms & self.mols2.allAtoms
     selString = diff_atoms.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_atoms)
     self.assertEquals(selected, AtomSet())
     self.assertEquals(selString, "stringSel:::/&/protease:::")

 def test_select_xor_atoms(self):
     """
     test selecting with stringRepr of xor atoms
     """
     stringSel = CompoundStringSelector()
     diff_atoms = self.mols.chains.residues.atoms ^ self.mols1.chains.residues.atoms
     selString = diff_atoms.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_atoms)
     self.assertEquals(selected, self.mols2.chains.residues.atoms)
     self.assertEquals(selString, "stringSel:::/+/protease:::/^/stringSel:::")

 def test_select_intersect_chains_empty(self):
     """
     test selecting with stringRepr of empty intersected chains
     """
     stringSel = CompoundStringSelector()
     diff_chains = self.mols1.chains & self.mols2.chains
     selString = diff_chains.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_chains)
     self.assertEquals(selected, ChainSet())
     self.assertEquals(selString, "stringSel:/&/protease:")

 def test_select_intersect_mols_empty(self):
     """
     test selecting with stringRepr of empty intersect mols
     """
     stringSel = CompoundStringSelector()
     diff_mols = self.mols1 & self.mols2
     selString = diff_mols.stringRepr
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     self.assertEquals(selected, diff_mols)
     self.assertEquals(selString, "stringSel/&/protease")
     self.assertEquals(selected, ProteinSet())

 def test_select_subset_chains(self):
     """
     test selecting with stringRepr of subset of chains
     """
     stringSel = CompoundStringSelector()
     diff_chains = self.mols.chains.get('B')
     selString = "(stringSel:/+/protease:\\s\\B)"
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     #selected, msg = stringSel.select(self.mols, selString)
     self.assertEquals(selected, diff_chains)
     self.assertEquals(selected, self.mols.chains[-1:])
     self.assertEquals(selected.stringRepr, selString)

 def test_select_subset_mols(self):
     """
     test selecting with stringRepr for subset
     """
     stringSel = CompoundStringSelector()
     diff_mols = self.mols[-1:]
     selString = "(stringSel/+/protease\\s\\protease)"
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     #selected, msg = stringSel.select(self.mols, selString)
     self.assertEquals(selected, diff_mols)
     self.assertEquals(selected, self.mols[-1:])
     self.assertEquals(selected.stringRepr, selString)

 def test_select_subset_allAtoms(self):
     """
     test selecting with stringRepr of subset allAtoms
     select the first atom in protease from mols.allAtoms
     """
     stringSel = CompoundStringSelector()
     diff_atoms = self.mols.allAtoms.get('0')
     selString = "(stringSel:::/+/protease:::\\s\\0)"
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     #selected, msg = stringSel.select(self.mols, selString)
     self.assertEquals(selected, diff_atoms)
     self.assertEquals(selected, self.mols.allAtoms[0:1])
     self.assertEquals(selected.stringRepr,  selString)

 def test_select_subset_residues(self):
     """
     test selecting with stringRepr of subset residues
     """
     stringSel = CompoundStringSelector()
     #this is the name of the 7th residue in the first molecule
     diff_residues = self.mols.chains.residues.get("HOH617")
     selString = "(stringSel::/+/protease::\\s\\HOH617)"
     selected, msg = stringSel.select(self.mols, selString, returnMsg=True)
     #selected, msg = stringSel.select(self.mols, selString)
     self.assertEquals(selected, diff_residues)
     self.assertEquals(selected, self.mols.chains.residues[7:8])
     self.assertEquals(selected.stringRepr, selString)

 def test_select_set_from_string(self):
     """
      test result using key into Sets
     """
     sets = Sets()
     subset = self.mols.allAtoms[:3]
     set_name = 'first_three_atoms'
     sets.add(set_name, subset)
     selString = ':::' + set_name
     css = CompoundStringSelector()
     result, msg = css.select(self.mols, selString, sets=sets)
     self.assertEqual(result, subset)
     self.assertEquals(result.stringRepr, selString)