def test_plot_fleur_mulitple_invalid_node(read_dict_from_file):
"""
Test that plot_fleur raises for non-workchain nodes
"""
aiida_path = os.path.dirname(aiida_fleur.__file__)
out_node_path = os.path.join(aiida_path, '../tests/files/jsons/fleur_outputpara.json')
fleur_outputnode = orm.Dict(dict=read_dict_from_file(out_node_path), label='output_para')
with pytest.warns(UserWarning, match=r'Sorry, I do not know how to visualize'):
plot_fleur([fleur_outputnode, fleur_outputnode], show=False)
def test_plot_fleur_multiple_eos_wc_bokeh(read_dict_from_file, check_bokeh_plot):
"""
Test of visualization of single SCF workchain with bokeh
"""
pytest.importorskip('bokeh')
aiida_path = os.path.dirname(aiida_fleur.__file__)
out_node_eos_path = os.path.join(aiida_path, '../tests/files/jsons/fleur_output_eos_wc_para.json')
eos_output = orm.Dict(dict=read_dict_from_file(out_node_eos_path), label='output_eos_wc_para')
p_eos = plot_fleur([eos_output, eos_output], show=False, backend='bokeh')
assert isinstance(p_eos, list)
check_bokeh_plot(p_eos[0])
def test_plot_fleur_single_scf_wc_matplotlib(read_dict_from_file):
"""
Test of visualization of single SCF workchain with matplotlib
"""
aiida_path = os.path.dirname(aiida_fleur.__file__)
out_node_scf_path = os.path.join(aiida_path, '../tests/files/jsons/fleur_output_scf_wc_para.json')
plt.gcf().clear()
scf_output = orm.Dict(dict=read_dict_from_file(out_node_scf_path), label='output_scf_wc_para')
p_scf = plot_fleur(scf_output, show=False)
assert isinstance(p_scf, list)
return plt.gcf()
def test_plot_fleur_multiple_scf_wc_bokeh(read_dict_from_file, check_bokeh_plot):
"""
Test of visualization of single SCF workchain with bokeh
"""
pytest.importorskip('bokeh')
from bokeh.layouts import gridplot # pylint: disable=import-error
aiida_path = os.path.dirname(aiida_fleur.__file__)
out_node_scf_path = os.path.join(aiida_path, '../tests/files/jsons/fleur_output_scf_wc_para.json')
scf_output = orm.Dict(dict=read_dict_from_file(out_node_scf_path), label='output_scf_wc_para')
p_scf = plot_fleur([scf_output, scf_output], show=False, backend='bokeh')
assert isinstance(p_scf, list)
grid = gridplot(p_scf[0], ncols=1)
check_bokeh_plot(grid)
def test_plot_fleur_multiple_scf_wc_matplotlib(read_dict_from_file):
"""
Test of visualization of single SCF workchain with matplotlib
"""
aiida_path = os.path.dirname(aiida_fleur.__file__)
out_node_scf_path = os.path.join(aiida_path, '../tests/files/jsons/fleur_output_scf_wc_para.json')
plt.gcf().clear()
scf_output = orm.Dict(dict=read_dict_from_file(out_node_scf_path), label='output_scf_wc_para')
fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(16, 6))
p_scf = plot_fleur([scf_output, scf_output], show=False, axis_energy=ax1, axis_distance=ax2)
assert isinstance(p_scf, list)
return fig