def __build_tables():
global expected_bond_lengths, vdw_radii
expected_bond_lengths = map.stl_string_double()
vdw_radii = map.stl_string_double()
for (e1, e2), length in expected_bond_lengths_by_element_pair.iteritems():
assert e1.find(":") < 0
assert e2.find(":") < 0
expected_bond_lengths[e1 + ":" + e2] = length
for k, v in vdw.table.items():
vdw_radii[k.upper()] = v
def __build_tables():
global expected_bond_lengths, vdw_radii
expected_bond_lengths = map.stl_string_double()
vdw_radii = map.stl_string_double()
for (e1, e2), length in expected_bond_lengths_by_element_pair.iteritems():
assert e1.find(":") < 0
assert e2.find(":") < 0
expected_bond_lengths[e1 + ":" + e2] = length
for k, v in vdw.table.items():
vdw_radii[k.upper()] = v
def exercise_stl_string_double():
m = map.stl_string_double()
assert m.size() == 0
assert len(m) == 0
assert not "a" in m
assert not m.has_key("a")
assert m.get("a", -1) == -1
assert m.size() == 0
assert m.setdefault("a", -2) == -2
assert m.size() == 1
assert len(m) == 1
assert "a" in m
assert m.has_key("a")
assert m["a"] == -2
assert m.setdefault("a", -3) == -2
assert m.size() == 1
assert m["a"] == -2
m["a"] = 10
assert m["a"] == 10
assert m.size() == 1
m.setdefault("b")
assert m.size() == 2
assert m["b"] == 0
m["b"] = 20
assert m.size() == 2
assert m["b"] == 20
del m["b"]
assert m.size() == 1
m["b"] = 22
assert m.size() == 2
assert m.erase("c") == 0
assert m.size() == 2
assert m.erase("a") == 1
assert m.size() == 1
assert m.erase("a") == 0
assert m.size() == 1
m.clear()
assert m.size() == 0
m = map.stl_string_double({})
assert m.size() == 0
assert m.keys() == []
assert m.values() == []
assert m.items() == []
m = map.stl_string_double({"b": 2, "a": 1, "c": 3})
assert m.size() == 3
assert m.keys() == ["a", "b", "c"]
assert [k for k in m] == ["a", "b", "c"]
assert m.values() == [1, 2, 3]
assert m.items() == zip(["a", "b", "c"], [1, 2, 3])
d = dict(m.items())
assert len(d) == 3
ld = list(d)
ld.sort()
assert ld == list(m)
m.update(map.stl_string_double({"x": -1, "y": -2}))
assert m.items() == zip(["a", "b", "c", "x", "y"], [1, 2, 3, -1, -2])
m.update({"r": 9, "s": 8})
assert m.items() == zip(["a","b","c","r","s","x","y"], [1,2,3,9,8,-1,-2])
assert m.popitem() == ("a", 1)
assert m.popitem() == ("b", 2)
d = pickle.dumps(m)
l = pickle.loads(d)
assert l.items() == zip(["c","r","s","x","y"], [3,9,8,-1,-2])