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[minor] separate drawing cell for plotly #187

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Merged
merged 6 commits into from
May 20, 2024
Merged

[minor] separate drawing cell for plotly #187

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45fd038
separate drawing cell for plotly
samwaseda May 19, 2024
5675ead
Format black
pyiron-runner May 20, 2024
fa34ca1
pass px
samwaseda May 20, 2024
97611e8
resolve conflict
samwaseda May 20, 2024
43b59ba
replace get_cell which is not defined in this PR
samwaseda May 20, 2024
29f5eea
pass go
samwaseda May 20, 2024
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17 changes: 11 additions & 6 deletions structuretoolkit/visualize.py
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Original file line number Diff line number Diff line change
Expand Up @@ -165,6 +165,16 @@ def _get_box_skeleton(cell: np.ndarray):
return all_lines @ cell


def _draw_box_plotly(fig, structure, px, go):
cell = structure.cell
data = fig.data
for lines in _get_box_skeleton(cell):
fig = px.line_3d(**{xx: vv for xx, vv in zip(["x", "y", "z"], lines.T)})
fig.update_traces(line_color="#000000")
data = fig.data + data
return go.Figure(data=data)


def _plot3d_plotly(
structure: Atoms,
show_cell: bool = True,
Expand Down Expand Up @@ -223,12 +233,7 @@ def _plot3d_plotly(
),
)
if show_cell:
data = fig.data
for lines in _get_box_skeleton(structure.cell):
fig = px.line_3d(**{xx: vv for xx, vv in zip(["x", "y", "z"], lines.T)})
fig.update_traces(line_color="#000000")
data = fig.data + data
fig = go.Figure(data=data)
fig = _draw_box_plotly(fig, structure, px, go)
fig.layout.scene.camera.projection.type = camera
rot = _get_orientation(view_plane).T
rot[0, :] *= distance_from_camera * 1.25
Expand Down