initial draft

docs/source/_ext/ormproperties.py

@@ -0,0 +1,107 @@
+from __future__ import annotations
+
+from docutils import nodes
+
+from sphinx.application import Sphinx
+from sphinx.util.docutils import SphinxDirective
+from sphinx.util.typing import ExtensionMetadata
+
+import pandas as pd
+from mendeleev.fetch import fetch_table
+
+
+def pandas_to_docutils_table(df: pd.DataFrame, citation_column: str) -> nodes.table:
+    """
+    Convert a pandas DataFrame into a docutils.table node.
+
+    Parameters:
+    - df (pd.DataFrame): The DataFrame to convert.
+
+    Returns:
+    - nodes.table: A docutils table node representing the DataFrame.
+    """
+    table = nodes.table()
+
+    # Define the table structure
+    tgroup = nodes.tgroup(cols=len(df.columns))
+    table += tgroup
+
+    # Define columns
+    for _ in df.columns:
+        tgroup += nodes.colspec(colwidth=1)
+
+    # Add header row
+    thead = nodes.thead()
+    tgroup += thead
+    header_row = nodes.row()
+    thead += header_row
+    for column_name in df.columns:
+        entry = nodes.entry()
+        entry += nodes.paragraph(text=str(column_name))
+        header_row += entry
+
+    # Add data rows
+    tbody = nodes.tbody()
+    tgroup += tbody
+    for _, row in df.iterrows():
+        body_row = nodes.row()
+        tbody += body_row
+
+        for column_name, cell_value in row.items():
+            entry = nodes.entry()
+
+            # Check if the column is the one to render with :cite:
+            if column_name == citation_column:
+                paragraph = nodes.paragraph()
+                if cell_value is None:
+                    paragraph += nodes.Text("")
+                else:
+                    paragraph += nodes.citation_reference(text=str(cell_value))
+            elif column_name == "attribute_name":
+                paragraph = nodes.paragraph()
+                if cell_value is None:
+                    paragraph += nodes.Text("")
+                else:
+                    paragraph += nodes.strong(text=str(cell_value))
+            else:
+                paragraph = nodes.paragraph(text=str(cell_value))
+
+            entry += paragraph
+            body_row += entry
+
+    return table
+
+
+class TableDocDirective(SphinxDirective):
+    """A directive to say hello!"""
+
+    required_arguments = 1
+
+    def run(self) -> list[nodes.Node]:
+        # paragraph_node = nodes.paragraph(text=f'hello {self.arguments[0]}!')
+
+        class_name = self.arguments[0]
+
+        columns = [
+            "attribute_name",
+            "description",
+            "unit",
+            "value_origin",
+            "citation_keys",
+        ]
+
+        table = fetch_table("propertymetadata")
+        table = table.loc[table["class_name"] == class_name, columns]
+        table_node = pandas_to_docutils_table(table, "citation_keys")
+        return [table_node]
+
+
+def setup(app: Sphinx) -> ExtensionMetadata:
+    # app.add_role('hello', HelloRole())
+    app.add_directive("ormtableproperties", TableDocDirective)
+
+    return {
+        "version": "0.1",
+        "parallel_read_safe": True,
+        "parallel_write_safe": True,
+    }

docs/source/conf.py

@@ -11,6 +11,7 @@
 import inspect
 import os
 import sys
+from pathlib import Path
 import sphinx_material
 
 
@@ -25,6 +26,8 @@
     "sqlalchemy",
 ]
 
+sys.path.append(str(Path("_ext").resolve()))
+
 __location__ = os.path.join(
     os.getcwd(), os.path.dirname(inspect.getfile(inspect.currentframe()))
 )
@@ -51,7 +54,7 @@
     "sphinx_copybutton",
     "sphinx_issues",  # linking github issues, prs, users
     "sphinx_material",
-    "nbsphinx",
+    # "nbsphinx",
     "sphinx.ext.autodoc",
     "sphinx.ext.autosummary",
     "sphinx.ext.coverage",
@@ -62,6 +65,7 @@
     "sphinx.ext.todo",
     "sphinx.ext.viewcode",
     "sphinxcontrib.bibtex",
+    "ormproperties",
 ]
 
 # sphinxcontrib.bibtex settings

docs/source/index.rst

@@ -24,14 +24,15 @@ the periodic table of elements.
 
    Overview <quick>
    Installation <install>
-   Tutorials <tutorials>
    Data <data>
+   New Data <newdata>
    Accessing data <data_access>
    Electronegativity <electronegativity>
    API Reference <api/api>
    Bibliography <bibliography>
    Changes <changes_link>
    License <license_link>
+   .. Tutorials <tutorials>
 
 
 Indices and tables

docs/source/newdata.rst

@@ -0,0 +1,28 @@
+
+********
+New Data
+********
+
+To find out how to fetch data in bulk, check out the documentation about
+:doc:`data access <notebooks/bulk_data_access>`.
+
+Element
+=======
+
+The following data are currently available:
+
+.. ormtableproperties:: Element
+
+
+Group
+=====
+
+.. ormtableproperties:: Group
+
+
+
+
+Isotope
+=======
+
+.. ormtableproperties:: Isotope