def test_hdf5_overwrite():
filename = "matlib.h5"
if filename in os.listdir("."):
os.remove(filename)
water = Material()
water.from_atom_frac({10000000: 2.0, 80000000: 1.0})
water.metadata["name"] = "Aqua sera."
lib = {"aqua": water}
wmatlib = MaterialLibrary(lib)
wmatlib.write_hdf5(filename, "/mats1")
lib = {"leu": Material(leu)}
umatlib = MaterialLibrary(lib)
# test error raise if path already exists
assert_raises(RuntimeError, umatlib.write_hdf5, filename, "/mats1", False)
# test overwriting
umatlib.write_hdf5(filename, "/mats1", h5_overwrite=True)
rmatlib = MaterialLibrary()
rmatlib.from_hdf5(filename, "/mats1")
# Round trip!
assert_equal(set(umatlib), set(rmatlib))
for key in rmatlib:
assert_mat_almost_equal(umatlib[key], rmatlib[key])
os.remove(filename)
def test_matlib_hdf5_nuc_data():
matlib = MaterialLibrary()
matlib.from_hdf5(nuc_data, "/materials")
matlib.write_hdf5("matlib_test.h5")
mat_lib_load_test = MaterialLibrary("matlib_test.h5")
os.remove("matlib_test.h5")
for key in matlib:
assert_mat_almost_equal(matlib[key], mat_lib_load_test[key])
def test_matlib_hdf5():
filename = "matlib.h5"
if filename in os.listdir("."):
os.remove(filename)
water = Material()
water.from_atom_frac({10000000: 2.0, 80000000: 1.0})
water.metadata["name"] = "Aqua sera."
lib = {"leu": Material(leu), "nucvec": nucvec, "aqua": water}
wmatlib = MaterialLibrary(lib)
wmatlib.write_hdf5(filename, "/mats1")
rmatlib = MaterialLibrary()
rmatlib.from_hdf5(filename, "/mats1")
os.remove(filename)
# Round trip!
rmatlib.write_hdf5(filename, "/mats1")
wmatlib = MaterialLibrary(filename, "/mats1")
assert_equal(set(wmatlib), set(rmatlib))
for key in rmatlib:
assert_mat_almost_equal(wmatlib[key], rmatlib[key])
os.remove(filename)