psdi-data-conversion 0.0.33__tar.gz → 0.0.35__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-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-cron.yml +1 -1
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-release.yml +1 -1
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-anchore-scan.yml +1 -1
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-publish-doc.yml +1 -1
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/PKG-INFO +1 -1
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/convert.htm +16 -5
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/convertato.htm +16 -5
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/convertc2x.htm +17 -5
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convert_common.js +21 -1
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/styles/format.css +19 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-deploy-production.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-feature.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-main.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-pr.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-rc-hotfix.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-container-push.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-deploy-k8s.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-open-pull-request.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-tag.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-test-gui.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-test-python.yml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.gitignore +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/CHANGELOG.md +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/CONTRIBUTING.md +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/LICENSE +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/README.md +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/__init__.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/app.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/LICENSE_ATOMSK +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/LICENSE_C2X +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/linux/atomsk +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/linux/c2x +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/mac/atomsk +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/bin/mac/c2x +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/constants.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converter.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/__init__.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/atomsk.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/base.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/c2x.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/converters/openbabel.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/database.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/dist.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/file_io.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/log_utility.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/main.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/scripts/atomsk.sh +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/scripts/c2x.sh +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/security.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/accessibility.htm +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/documentation.htm +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/download.htm +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/feedback.htm +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/header-links.html +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/index-versions/header-links.html +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/index-versions/psdi-common-footer.html +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/index-versions/psdi-common-header.html +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/psdi-common-footer.html +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/psdi-common-header.html +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/content/report.htm +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/data/data.json +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/colormode-toggle-dm.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/colormode-toggle-lm.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-icon-dark.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-icon-light.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-darktext-simple.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-darktext.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-lighttext-simple.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/psdi-logo-lighttext.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-bluesky-black.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-bluesky-white.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-instagram-black.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-instagram-white.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-linkedin-black.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-linkedin-white.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-mastodon-black.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-mastodon-white.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-x-black.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-x-white.svg +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-youtube-black.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/social-logo-youtube-white.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-epsr-logo-darktext.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-epsr-logo-lighttext.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-logo-darktext.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/img/ukri-logo-lighttext.png +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/accessibility.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/common.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convert.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convertato.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/convertc2x.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/data.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/format.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/load_accessibility.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/psdi-common.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/javascript/report.js +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/static/styles/psdi-common.css +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/templates/index.htm +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/__init__.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/constants.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/conversion_callbacks.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/conversion_test_specs.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/psdi_data_conversion/testing/utils.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/pyproject.toml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/run_local.sh +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/scripts/setup_bin.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/1ARJ.mmcif +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/1NE6.mmcif +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/5a9z-assembly1.cif +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/Fapatite.ins +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/aceticacid.mol +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/benzyne.molden +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine-smi.tar +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine-smi.tar.gz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine-smi.zip +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/caffeine.inchi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/ch3cl-esp.cub +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/cyclopropane_err.mol +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/ethanol.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/fullRhinovirus.pdb +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/hemoglobin.pdb +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/nacl.cif +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/nacl.mol +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/aceticacid.log.txt +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/aceticacid.mol2 +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-2D-fastest.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-3D-best.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-okx-oof4.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-okx-oof4l5.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-okx.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia-ox.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-ia.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine-no-flags.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_kx_f4_l5_out.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_kx_f4_out.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_kx_out.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/caffeine_a_in_x_out.smi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/error_Fapatite_ins_to_cml_OB +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/error_cyclopropane_mol_to_xyz_c2x +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/error_nacl_mol_to_xyz_atomsk +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/hemoglobin_Atomsk.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/hemoglobin_c2x.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/nacl.log +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/nacl.mol +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_OB.cif +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_OB.log.txt +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_atomsk.cif +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/quartz_atomsk.log.txt +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/standard_test.inchi +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/xyz_files-mol.zip +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/output/xyz_files.log.txt +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/periodic_dmol3.outmol +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/quartz.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/quartz_err.xyz +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/test_data/standard_test.cdxml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/cli_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/converter_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/database_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/dist_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/file_io_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/logging_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/security_test.py +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/selenium/files/standard_test.cdxml +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/selenium/run.sh +0 -0
- {psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/tests/selenium/selenium_tests.py +0 -0
{psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/job-anchore-scan.yml
RENAMED
@@ -32,7 +32,7 @@ jobs:
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contents: read # for actions/checkout to fetch code
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security-events: write # for github/codeql-action/upload-sarif to upload SARIF results
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actions: read # only required for a private repository by github/codeql-action/upload-sarif to get the Action run status
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runs-on:
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runs-on: psdi-uk-runners
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steps:
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- name: Check out the code
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uses: actions/checkout@v4
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Metadata-Version: 2.1
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Name: psdi_data_conversion
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Version: 0.0.
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Version: 0.0.35
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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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<meta name="viewport" content="width=device-width, initial-scale=1.0">
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<title>PSDI Data Conversion Service</title>
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<link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
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<link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
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<link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
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<link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
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<script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
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<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
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<link rel="stylesheet" href="../styles/format.css">
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<script src="../javascript/load_accessibility.js"></script>
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<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
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<script src="../javascript/common.js" type="module"></script>
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<script src="../javascript/psdi-common.js" type="module"></script>
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</head>
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<p id="fileChecking">
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</p>
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<p id="convertFile">
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<input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
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<input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
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contained in archives) all have the correct extension<br>
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<input type="checkbox" id="requestLog">Also download log file for the conversion<br>
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<input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
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Select file to convert:
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<br><input type="file" name="fileToUpload" id="fileToUpload"><br>
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If you have sensitive data you might prefer to use
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<a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
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our service.<br>
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<
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disabled=
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<span class="convert-button-and-spinner">
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<input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
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disabled=true>
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<span class="loading-spinner spinner-border"></span>
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</span>
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</p>
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</div>
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<meta name="viewport" content="width=device-width, initial-scale=1.0">
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<title>PSDI Data Conversion Service</title>
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<link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
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<link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
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<link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
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<link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
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<script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
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<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
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<link rel="stylesheet" href="../styles/format.css">
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<script src="../javascript/load_accessibility.js"></script>
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<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
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<script src="../javascript/common.js" type="module"></script>
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<script src="../javascript/psdi-common.js" type="module"></script>
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</head>
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@@ -43,16 +51,19 @@
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</p>
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<h6 id="heading"></h6>
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<p id="convertFile">
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<input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
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<input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
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contained in archives) all have the correct extension<br>
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<input type="checkbox" id="requestLog">Also download log file for the conversion<br>
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<input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
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Select file to convert:
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<br><input type="file" name="fileToUpload" id="fileToUpload"><br>
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If you have sensitive data you might prefer to use
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<a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
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our service.<br>
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<
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disabled=
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<span class="convert-button-and-spinner">
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<input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
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disabled=true>
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<span class="loading-spinner spinner-border"></span>
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</span>
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</p>
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</div>
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<div class="largeGap"></div>
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<html>
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<head>
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<meta name="viewport" content="width=device-width, initial-scale=1.0">
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<title>PSDI Data Conversion Service</title>
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<link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
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<link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
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<link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
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<link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
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<script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
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<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
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<link rel="stylesheet" href="../styles/format.css">
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<script src="../javascript/load_accessibility.js"></script>
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<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
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<script src="../javascript/common.js" type="module"></script>
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<script src="../javascript/psdi-common.js" type="module"></script>
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</head>
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</p>
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<h6 id="heading"></h6>
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<p id="convertFile">
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<input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
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<input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
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contained in archives) all have the correct extension<br>
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<input type="checkbox" id="requestLog">Also download log file for the conversion<br>
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<input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
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Select file to convert:
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<br><input type="file" name="fileToUpload" id="fileToUpload"><br>
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If you have sensitive data you might prefer to use
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<a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
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our service.<br>
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<
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disabled=
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<span class="convert-button-and-spinner">
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<input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
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disabled=true>
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<span class="loading-spinner spinner-border"></span>
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</span>
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</p>
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</div>
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<div class="largeGap"></div>
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@@ -58,6 +58,8 @@ export function commonConvertReady(converter) {
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// Converts user-supplied file to another format and downloads the resulting file
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export function convertFile(form_data, download_fname, fname) {
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showSpinner();
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let convertTimedOut = false;
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var jqXHR = $.ajax({
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contentType: false,
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timeout: CONVERT_TIMEOUT,
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success: async function () {
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hideSpinner();
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if (!convertTimedOut) {
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await downloadFile(`../downloads/${download_fname}`, download_fname)
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@@ -105,6 +108,7 @@ export function convertFile(form_data, download_fname, fname) {
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})
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},
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error: function (xmlhttprequest, textstatus, message) {
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hideSpinner();
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if (textstatus === "timeout") {
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convertTimedOut = true;
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alert("ERROR: Conversion attempt timed out. This may be because the conversion is too complicated, " +
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if (message !== "")
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message += "\n\n";
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message += "The file exceeds the maximum size limit of " + (max_file_size / MEGABYTE).toFixed(2) +
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" MB; its size is " + (file.size / MEGABYTE).toFixed(2) + " MB."
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" MB; its size is " + (file.size / MEGABYTE).toFixed(2) + " MB. Please either log in for an increased " +
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"file size limit, or see the Downloads page to run the app locally with no limit.";
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allGood = false;
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}
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@@ -249,4 +254,19 @@ async function downloadFile(path, filename) {
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a.click();
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a.remove();
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});
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}
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/**
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* Show the loading spinner
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*/
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function showSpinner() {
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$(".loading-spinner").css({ display: "inherit" });
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}
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/**
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* Hide the loading spinner
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*/
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function hideSpinner() {
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$(".loading-spinner").css({ display: "none" });
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}
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[production-mode=False] .dev-only {
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display: none;
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}
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.footer__hline hr {
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border-top-style : none;
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border-bottom-style: inset;
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border-bottom-width: 1px;
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}
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/* Convert button and loading spinner */
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.convert-button-and-spinner {
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display : flex;
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flex-direction: row;
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align-items : center;
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}
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.loading-spinner {
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display: none;
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color : var(--ifm-color-primary);
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scale : 75%;
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}
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{psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-feature.yml
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{psdi_data_conversion-0.0.33 → psdi_data_conversion-0.0.35}/.github/workflows/ci-rc-hotfix.yml
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