From 74fa421ff5f09b4d567da01ad8b9567367cc8da4 Mon Sep 17 00:00:00 2001 From: Albert Engstfeld Date: Sat, 30 May 2026 20:28:55 +0200 Subject: [PATCH 1/3] Improve descripton for dataset accessibility --- mkdocs.yml | 3 ++- pages/cv/index.md | 34 ++++++++++++++++++++++++++++------ website/generator/database.py | 2 +- website/macros/__init__.py | 10 ++++++++++ 4 files changed, 41 insertions(+), 8 deletions(-) diff --git a/mkdocs.yml b/mkdocs.yml index 151d0edaf..5c402ce9d 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -20,7 +20,8 @@ extra_css: plugins: - search - - macros + - macros: + module_name: website/macros/__init__ - gen-files: scripts: - website/generator/__main__.py diff --git a/pages/cv/index.md b/pages/cv/index.md index 48d49dd95..21870e1c4 100644 --- a/pages/cv/index.md +++ b/pages/cv/index.md @@ -1,12 +1,28 @@ # Cyclic Voltammograms -The cyclic voltammograms (CVs[^1]) are categorized based on the type of system, -i.e., aquoues or non-aqueous, as well as descriptors (tags) used to some extent -commonly by the community or introduced here for the purpose of categorizing the systems. -An entry can have several tags. +This Section shows the content of the [electrochemistry-data](https://github.com/echemdb/electrochemistry-data) +repository, containing cyclic voltammograms (CVs[^1]) for single crystal electrodes (using dataset version {{ ECHEMDB_DATABASE_VERSION }}). + +The CVs are sorted based ony categories relevant to certain communities +such as the type of electrolyte, i.e., aquoues or non-aqueous, +as well as tags used for categorizing the systems. + +## Database Access + +The data shown on this website can either be downloaded directly as a ZIP from the +release section of the [electrochemistry-data](https://github.com/echemdb/electrochemistry-data) repository. + +Alternatively, the dataset can be downloaded using the [unitpackage API](https://echemdb.github.io/unitpackage/usage/echemdb_usage.html). +The API also allows browsing, filtering and manipulating the database, which is described in detail in the API documentation. -To create, browse and compare specific datasets based on other search criteria, -use the [API](https://echemdb.github.io/echemdb/). +Example usage to download the database using the API: + +```python +from unitpackage.database.echemdb import Echemdb + +db = Echemdb.from_remote(version="{{ ECHEMDB_DATABASE_VERSION }}") +db.describe() +``` ## Systems @@ -18,6 +34,12 @@ as in **[Ionic Liquids](ionic_liquid.md)**, or it consists of a non-conductive s ## Tags +We use common tags used by the community or new (or less known) ones +for the purpose of categorizing the systems. +An entry can have several tags. + +Currently available tags are: + * **BCV**: We consider a "base cyclic voltammogram" as a CV that shows no electrocatalysis except possibly the decomposition of the electrolyte. * **SHA**: Specific Halide Adsorption, studied in electrolytes containing at least one halide component. * **COOR**: CO Oxidation Reaction, usually studied in a CO saturated electrolyte. diff --git a/website/generator/database.py b/website/generator/database.py index ec3f7e204..a15ebdc73 100644 --- a/website/generator/database.py +++ b/website/generator/database.py @@ -46,4 +46,4 @@ f"https://github.com/echemdb/electrochemistry-data/releases/download/{ECHEMDB_DATABASE_VERSION}/data-{ECHEMDB_DATABASE_VERSION}.zip", ) -cv = Echemdb.from_remote(url=ECHEMDB_DATABASE_URL) +cv = Echemdb.from_remote(url=ECHEMDB_DATABASE_URL)[0:5] diff --git a/website/macros/__init__.py b/website/macros/__init__.py index 0e5dc09b4..8ad5f4f2c 100644 --- a/website/macros/__init__.py +++ b/website/macros/__init__.py @@ -45,3 +45,13 @@ def enable_macros(env): from website.macros.render import render env.macro(render) + + +def define_env(env): + r""" + Register variables and macros for use in mkdocs-macros templates. + """ + from website.generator.database import ECHEMDB_DATABASE_VERSION + + env.variables["ECHEMDB_DATABASE_VERSION"] = ECHEMDB_DATABASE_VERSION + enable_macros(env) From 127dc1e41bf37f184da4672a813e7f3bef86fd9a Mon Sep 17 00:00:00 2001 From: Albert Engstfeld Date: Sat, 30 May 2026 20:31:53 +0200 Subject: [PATCH 2/3] fix using entire dataset --- website/generator/database.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/website/generator/database.py b/website/generator/database.py index a15ebdc73..ec3f7e204 100644 --- a/website/generator/database.py +++ b/website/generator/database.py @@ -46,4 +46,4 @@ f"https://github.com/echemdb/electrochemistry-data/releases/download/{ECHEMDB_DATABASE_VERSION}/data-{ECHEMDB_DATABASE_VERSION}.zip", ) -cv = Echemdb.from_remote(url=ECHEMDB_DATABASE_URL)[0:5] +cv = Echemdb.from_remote(url=ECHEMDB_DATABASE_URL) From 3292990cb72ee07d01b4a7a34a5c503e38bdf537 Mon Sep 17 00:00:00 2001 From: Albert Engstfeld Date: Sat, 30 May 2026 20:45:20 +0200 Subject: [PATCH 3/3] Add go fair to the link exception list --- .github/workflows/build.yml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index 8a610bd08..ba7b11bab 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -36,7 +36,8 @@ jobs: # * ignore fonts.gstatic.com which is mentioned by a link preconnect tag that linkchecker does not parse correctly. # * ignore DOIs since some publishers ban GitHub or bots. # * ignore datascience.codata.org because this host intermittently times out. - pixi run linkchecker --check-extern --no-robots --ignore fonts.gstatic.com --ignore doi.org --ignore datascience.codata.org http://localhost:8880/ --ignore mybinder.org --ignore osti.gov --no-warnings + # * ignore go-fair.org because it returns 403 for automated requests. + pixi run linkchecker --check-extern --no-robots --ignore fonts.gstatic.com --ignore doi.org --ignore datascience.codata.org http://localhost:8880/ --ignore mybinder.org --ignore osti.gov --ignore go-fair.org --no-warnings # We only check links on Linux since we do not want to get flagged because of too many requests by the target websites. if: ${{ matrix.os == 'ubuntu-latest' }} - uses: JamesIves/github-pages-deploy-action@v4.3.3