psdi-data-conversion 0.1.0__tar.gz → 0.1.1__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/PKG-INFO +1 -1
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/app.py +42 -16
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/templates/index.htm +2 -2
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/.gitignore +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/CHANGELOG.md +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/CONTRIBUTING.md +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/LICENSE +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/README.md +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/__init__.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/bin/LICENSE_ATOMSK +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/bin/LICENSE_C2X +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/bin/linux/atomsk +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/bin/linux/c2x +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/bin/mac/atomsk +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/bin/mac/c2x +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/constants.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/converter.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/converters/__init__.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/converters/atomsk.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/converters/base.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/converters/c2x.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/converters/openbabel.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/database.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/dist.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/file_io.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/log_utility.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/main.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/scripts/atomsk.sh +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/scripts/c2x.sh +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/security.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/accessibility.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/convert.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/convertato.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/convertc2x.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/documentation.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/download.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/feedback.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/header-links.html +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/index-versions/header-links.html +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/index-versions/psdi-common-footer.html +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/index-versions/psdi-common-header.html +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/psdi-common-footer.html +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/psdi-common-header.html +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/content/report.htm +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/data/data.json +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/colormode-toggle-dm.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/colormode-toggle-lm.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/psdi-icon-dark.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/psdi-icon-light.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/psdi-logo-darktext-simple.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/psdi-logo-darktext.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/psdi-logo-lighttext-simple.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/psdi-logo-lighttext.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-bluesky-black.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-bluesky-white.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-instagram-black.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-instagram-white.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-linkedin-black.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-linkedin-white.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-mastodon-black.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-mastodon-white.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-x-black.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-x-white.svg +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-youtube-black.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/social-logo-youtube-white.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/ukri-epsr-logo-darktext.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/ukri-epsr-logo-lighttext.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/ukri-logo-darktext.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/img/ukri-logo-lighttext.png +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/accessibility.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/common.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/convert.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/convert_common.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/convertato.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/convertc2x.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/data.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/format.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/load_accessibility.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/psdi-common.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/javascript/report.js +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/styles/format.css +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/static/styles/psdi-common.css +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/testing/__init__.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/testing/constants.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/testing/conversion_callbacks.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/testing/conversion_test_specs.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/testing/gui.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/testing/utils.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/utils.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/pyproject.toml +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/scripts/setup_bin.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/1ARJ.mmcif +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/1NE6.mmcif +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/5a9z-assembly1.cif +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/Fapatite.ins +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/aceticacid.mol +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/benzyne.molden +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/caffeine-smi.tar +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/caffeine-smi.tar.gz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/caffeine-smi.zip +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/caffeine.inchi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/ch3cl-esp.cub +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/cyclopropane_err.mol +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/ethanol.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/fullRhinovirus.pdb +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/hemoglobin.pdb +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/nacl.cif +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/nacl.mol +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/aceticacid.log.txt +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/aceticacid.mol2 +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine-2D-fastest.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine-3D-best.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine.smi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in.smi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in_kx_f4_l5_out.smi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in_kx_f4_out.smi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in_kx_out.smi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in_x_out.smi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/hemoglobin_Atomsk.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/hemoglobin_c2x.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/nacl.log +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/nacl.mol +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_OB.cif +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_OB.log.txt +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_atomsk.cif +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_atomsk.log.txt +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/standard_test.inchi +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/xyz_files-mol.zip +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/xyz_files.log.txt +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/periodic_dmol3.outmol +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/quartz.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/quartz_err.xyz +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/standard_test.cdxml +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/gui/gui_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/cli_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/converter_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/database_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/dist_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/file_io_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/logging_test.py +0 -0
- {psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/tests/python/security_test.py +0 -0
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Metadata-Version: 2.4
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Name: psdi_data_conversion
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Version: 0.1.
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Version: 0.1.1
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Summary: Chemistry file format conversion service, provided by PSDI
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Project-URL: Homepage, https://data-conversion.psdi.ac.uk/
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Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/
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"""
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import json
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def get_tag_and_sha() -> str:
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cmd = "git tag --sort -version:refname | head -n 1"
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cmd = f"git show {tag}" + " | head -n 1 | gawk '{print($2)}'"
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|
-
|
154
|
+
tag = ""
|
155
|
+
tag_sha = None
|
156
|
+
|
157
|
+
# First check if the SHA is provided through an environmental variable
|
158
|
+
ev_sha = os.environ.get(SHA_EV)
|
159
|
+
if ev_sha:
|
160
|
+
sha = ev_sha
|
161
|
+
else:
|
162
|
+
try:
|
163
|
+
# This bash command calls `git log` to get info on the last commit, uses `head` to trim it to one line, then
|
164
|
+
# uses `gawk` to get just the second word of this line, which is the SHA of this commit
|
165
|
+
cmd = "git log -n 1 | head -n 1 | gawk '{print($2)}'"
|
166
|
+
|
167
|
+
out_bytes = run(cmd, shell=True, capture_output=True).stdout
|
168
|
+
sha = str(out_bytes.decode()).strip()
|
169
|
+
|
170
|
+
except Exception:
|
171
|
+
print("ERROR: Could not determine SHA of most recent commit. Error was:\n" + format_exc(),
|
172
|
+
file=sys.stderr)
|
173
|
+
sha = ""
|
174
|
+
|
175
|
+
# If the SHA of the tag is the same as the current SHA, we indicate this by returning a blank SHA
|
176
|
+
if tag_sha == sha:
|
177
|
+
sha = ""
|
154
178
|
|
155
|
-
return
|
179
|
+
return (tag, sha)
|
156
180
|
|
157
181
|
|
158
182
|
@app.route('/')
|
159
183
|
def website():
|
160
184
|
"""Return the web page along with the token
|
161
185
|
"""
|
186
|
+
tag, sha = get_tag_and_sha()
|
162
187
|
return render_template("index.htm",
|
163
188
|
token=token,
|
164
189
|
max_file_size=max_file_size,
|
165
190
|
max_file_size_ob=max_file_size_ob,
|
166
191
|
service_mode=service_mode,
|
167
192
|
production_mode=production_mode,
|
168
|
-
|
193
|
+
tag=tag,
|
194
|
+
sha=sha)
|
169
195
|
|
170
196
|
|
171
197
|
@app.route('/convert/', methods=['POST'])
|
@@ -273,7 +299,7 @@ def feedback():
|
|
273
299
|
|
274
300
|
# Write data in JSON format and send to stdout
|
275
301
|
logLock.acquire()
|
276
|
-
sys.stdout.write(f"{json.dumps(entry) +
|
302
|
+
sys.stdout.write(f"{json.dumps(entry) + '\n'}")
|
277
303
|
logLock.release()
|
278
304
|
|
279
305
|
return Response(status=201)
|
{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/psdi_data_conversion/templates/index.htm
RENAMED
@@ -120,9 +120,9 @@
|
|
120
120
|
<div class="medGap"></div>
|
121
121
|
</div>
|
122
122
|
</form>
|
123
|
-
{% if
|
123
|
+
{% if tag %}
|
124
124
|
<div class="secondary prod-only">
|
125
|
-
<div class="max-width-box">SHA: {{ sha }}</div>
|
125
|
+
<div class="max-width-box">PSDI Data Conversion {{ tag }} {% if sha %} (SHA: {{ sha }}) {% endif %}</div>
|
126
126
|
</div>
|
127
127
|
{% endif %}
|
128
128
|
<script src="{{url_for('static', filename='/javascript/format.js')}}" type="module" language="JavaScript"></script>
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RENAMED
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RENAMED
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RENAMED
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RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/aceticacid.log.txt
RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine-2D-fastest.xyz
RENAMED
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RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in.smi
RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/caffeine_a_in_kx_out.smi
RENAMED
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RENAMED
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RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_OB.log.txt
RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_atomsk.cif
RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/quartz_atomsk.log.txt
RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/standard_test.inchi
RENAMED
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{psdi_data_conversion-0.1.0 → psdi_data_conversion-0.1.1}/test_data/output/xyz_files-mol.zip
RENAMED
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RENAMED
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