def test_o2_cc_pvtz_cart_num():
tmpdir, fn_fchk = setup_gaussian("o2_cc_pvtz_cart")
fchk = FCHKFile(fn_fchk)
basis = GaussianBasis.from_fchk(fchk)
assert (basis.num_shells == 20)
print basis.num_dof
assert (basis.num_dof == 70)
def test_o2_cc_pvtz_cart_num():
tmpdir, fn_fchk = setup_gaussian("o2_cc_pvtz_cart")
fchk = FCHKFile(fn_fchk)
basis = GaussianBasis.from_fchk(fchk)
assert(basis.num_shells==20)
print basis.num_dof
assert(basis.num_dof==70)
def test_h_sto3g_num():
tmpdir, fn_fchk = setup_gaussian("h_sto3g")
fchk = FCHKFile(fn_fchk)
basis = GaussianBasis.from_fchk(fchk)
assert (basis.num_shells == 1)
assert (basis.num_dof == 1)
def test_h_sto3g_num():
tmpdir, fn_fchk = setup_gaussian("h_sto3g")
fchk = FCHKFile(fn_fchk)
basis = GaussianBasis.from_fchk(fchk)
assert(basis.num_shells==1)
assert(basis.num_dof==1)