示例#1
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def test_add_cubes():
    fig = moly.Figure()
    fig.add_cubes(directory='test_files', colorscale="portland", iso=0.1)
    fig.show()
示例#2
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def test_add_cube():
    fig = moly.Figure()
    fig.add_cube("Da.cube", iso=0.03, colorscale="rdbu", opacity=0.2)
示例#3
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def test_add_cube_slider():
    fig = moly.Figure()
    fig.add_cube("Da.cube", iso=[0.01, 0.1], colorscale="rdbu", opacity=0.2)
示例#4
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def test_add_molecule_from_file():
    fig = moly.Figure()
    mol = moly.Molecule.from_file("water.xyz")
示例#5
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def test_figsize():
    fig = moly.Figure(figsize=(300, 300))
示例#6
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def test_add_molecule_from_data_tubes(he_dimer):
    fig = moly.Figure()
    mol = moly.Molecule.from_data(he_dimer)
    fig.add_molecule("he2", mol, style="tubes")
示例#7
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def test_add_molecule_from_data_spacefilling(he_dimer):
    fig = moly.Figure()
    mol = moly.Molecule.from_data(he_dimer)
    fig.add_molecule("he2", mol, style="spacefilling")
示例#8
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def test_add_molecule_from_data_wireframe(he_dimer):
    fig = moly.Figure()
    mol = moly.Molecule.from_data(he_dimer)
    fig.add_molecule("he2", mol, style="wireframe")
示例#9
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def test_add_molecule_from_data(he_dimer):
    fig = moly.Figure()
    mol = moly.Molecule.from_data(he_dimer)
    fig.add_molecule("he2", mol)
示例#10
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def test_init_figure():
    fig = moly.Figure()