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Use tmpdir for povray rendering #675

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merged 3 commits into from
Feb 6, 2025
Merged

Use tmpdir for povray rendering #675

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ed69f77
Assert temp files don't exist in cwd
danielhollas Feb 6, 2025
23f3ce0
Use tmpdir for povray rendering
danielhollas Feb 6, 2025
d06764a
Fix python 3.9
danielhollas Feb 6, 2025
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31 changes: 21 additions & 10 deletions aiidalab_widgets_base/viewers.py
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Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,8 @@

import base64
import copy
import os
import pathlib
import re
import warnings

Expand Down Expand Up @@ -868,6 +870,7 @@ def _download_tab(self):

def _render_structure(self, change=None):
"""Render the structure with POVRAY."""
from tempfile import TemporaryDirectory

if not isinstance(self.displayed_structure, ase.Atoms):
return
Expand Down Expand Up @@ -957,16 +960,24 @@ def _render_structure(self, change=None):

scene = vapory.Scene(camera, objects=objects)
fname = bb.get_chemical_formula() + ".png"
scene.render(
fname,
width=2560,
height=1440,
antialiasing=0.000,
quality=11,
remove_temp=False,
)
with open(fname, "rb") as raw:
payload = base64.b64encode(raw.read()).decode()

with TemporaryDirectory() as tmpdir:
cwd = pathlib.Path.cwd()
try:
os.chdir(tmpdir)
scene.render(
fname,
width=2560,
height=1440,
antialiasing=0.000,
quality=11,
remove_temp=False,
)
with open(fname, "rb") as raw:
payload = base64.b64encode(raw.read()).decode()
finally:
os.chdir(cwd)

self._download(payload=payload, filename=fname)
self.render_btn.disabled = False

Expand Down
6 changes: 6 additions & 0 deletions tests/test_viewers.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,5 @@
from pathlib import Path

import ase
import pytest
import traitlets as tl
Expand Down Expand Up @@ -107,6 +109,10 @@ def test_structure_data_viewer_storage(structure_data_object):
# fmt: on
v._render_structure()

# Make sure we don't polute current working dir with tempfiles
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Thanks for the fix, but is this necessary for the test to pass? If it pollutes the working dir, will the test fail?

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Yes, it's a regression test for this PR.

assert not Path("__temp__.pov").exists()
assert not Path("Si2.png").exists()


@pytest.mark.usefixtures("aiida_profile_clean")
def test_structure_data_viewer_selection(structure_data_object):
Expand Down
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