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remove unnecessary file paths
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m-julian committed Oct 16, 2024
1 parent f641fce commit f00738b
Showing 1 changed file with 7 additions and 36 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -13,17 +13,15 @@

example_dir = get_cwd(__file__) / ".." / ".." / ".." / "example_files"

gaussian_output = GaussianOutput(
example_dir / "example_point_directory" / "WD0000.pointdir" / "WD0000.gau"
)
aimall_ints = IntDirectory(
example_dir / "example_point_directory" / "WD0000.pointdir" / "WD0000_atomicfiles"
)


def test_recover_molecular_dipole_moment():
gaussian_output = GaussianOutput(
example_dir / "example_point_directory" / "WD0000.pointdir" / "WD0000.gau"
)
aimall_ints = IntDirectory(
example_dir
/ "example_point_directory"
/ "WD0000.pointdir"
/ "WD0000_atomicfiles"
)

gaussian, aimall_recovered = get_gaussian_and_aimall_molecular_dipole(
gaussian_output, aimall_ints
Expand All @@ -33,15 +31,6 @@ def test_recover_molecular_dipole_moment():


def test_recover_molecular_quadrupole_moment():
gaussian_output = GaussianOutput(
example_dir / "example_point_directory" / "WD0000.pointdir" / "WD0000.gau"
)
aimall_ints = IntDirectory(
example_dir
/ "example_point_directory"
/ "WD0000.pointdir"
/ "WD0000_atomicfiles"
)

gaussian, aimall_recovered = get_gaussian_and_aimall_molecular_quadrupole(
gaussian_output, aimall_ints
Expand All @@ -51,15 +40,6 @@ def test_recover_molecular_quadrupole_moment():


def test_recover_molecular_octupole_moment():
gaussian_output = GaussianOutput(
example_dir / "example_point_directory" / "WD0000.pointdir" / "WD0000.gau"
)
aimall_ints = IntDirectory(
example_dir
/ "example_point_directory"
/ "WD0000.pointdir"
/ "WD0000_atomicfiles"
)

gaussian, aimall_recovered = get_gaussian_and_aimall_molecular_octupole(
gaussian_output, aimall_ints
Expand All @@ -69,15 +49,6 @@ def test_recover_molecular_octupole_moment():


def test_recover_molecular_hexadecapole_moment():
gaussian_output = GaussianOutput(
example_dir / "example_point_directory" / "WD0000.pointdir" / "WD0000.gau"
)
aimall_ints = IntDirectory(
example_dir
/ "example_point_directory"
/ "WD0000.pointdir"
/ "WD0000_atomicfiles"
)

gaussian, aimall_recovered = get_gaussian_and_aimall_molecular_hexadecapole(
gaussian_output, aimall_ints
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