Update the function names for wren utils given breaking changes in Av…

…iary (#182)

* fea: rename wren.utils functions

* breaking: rename styled_html_tag to html_tag and add kwarg title: str = ""

* make bs4 + cssutils call-time rather than import-time deps of df_to_svg

---------

Co-authored-by: Janosh Riebesell <[email protected]>

examples/dataset_exploration/matbench/dielectric/explore_dielectric.py

@@ -1,6 +1,9 @@
 # %%
 import plotly.express as px
-from aviary.wren.utils import count_wyckoff_positions, get_aflow_label_from_spglib
+from aviary.wren.utils import (
+    count_wyckoff_positions,
+    get_protostructure_label_from_spglib,
+)
 from matminer.datasets import load_dataset
 from tqdm import tqdm
 
@@ -40,7 +43,7 @@
 ]
 
 df_diel[Key.wyckoff] = [
-    get_aflow_label_from_spglib(struct)
+    get_protostructure_label_from_spglib(struct)
     for struct in tqdm(df_diel[Key.structure], desc="Getting Wyckoff strings")
 ]
 df_diel[Key.n_wyckoff] = df_diel.wyckoff.map(count_wyckoff_positions)

examples/dataset_exploration/matbench/log_g+kvrh/explore_log_g+krvh.py

@@ -14,7 +14,10 @@
 
 import numpy as np
 import plotly.express as px
-from aviary.wren.utils import count_wyckoff_positions, get_aflow_label_from_spglib
+from aviary.wren.utils import (
+    count_wyckoff_positions,
+    get_protostructure_label_from_spglib,
+)
 from matminer.datasets import load_dataset
 from pymatgen.core import Structure
 from tqdm import tqdm
@@ -47,7 +50,7 @@
 ]
 
 df_grvh[Key.wyckoff] = [
-    get_aflow_label_from_spglib(struct)
+    get_protostructure_label_from_spglib(struct)
     for struct in tqdm(
         df_grvh[Key.structure], desc="Getting matbench_log_gvrh Wyckoff strings"
     )

examples/matbench_perovskites_eda.ipynb

@@ -31,7 +31,7 @@
     "import plotly.io as pio\n",
     "\n",
     "# see https://github.com/CompRhys/aviary/blob/main/aviary/wren/utils.py\n",
-    "from aviary.wren.utils import get_aflow_label_from_spglib\n",
+    "from aviary.wren.utils import get_protostructure_label_from_spglib\n",
     "from matminer.datasets import load_dataset\n",
     "from tqdm import tqdm\n",
     "\n",
@@ -222,7 +222,7 @@
     "# takes ~6h (when running uninterrupted)\n",
     "for idx, struct in tqdm(df_perov[Key.structure].items(), total=len(df_perov)):\n",
     "    if pd.isna(df_perov.aflow_wyckoff[idx]):\n",
-    "        df_perov.loc[idx, \"aflow_wyckoff\"] = get_aflow_label_from_spglib(\n",
+    "        df_perov.loc[idx, \"aflow_wyckoff\"] = get_protostructure_label_from_spglib(\n",
     "            struct,\n",
     "            \"/path/to/aflow\",  # defaults to aflow\n",
     "        )"

pymatviz/__init__.py

@@ -57,7 +57,7 @@
     set_plotly_template,
 )
 from pymatviz.uncertainty import error_decay_with_uncert, qq_gaussian
-from pymatviz.utils import PKG_DIR, ROOT, styled_html_tag
+from pymatviz.utils import PKG_DIR, ROOT, html_tag
 from pymatviz.xrd import plot_xrd_pattern
 
 

pymatviz/enums.py

@@ -6,7 +6,7 @@
 from enum import Enum, unique
 from typing import TYPE_CHECKING
 
-from pymatviz.utils import styled_html_tag
+from pymatviz.utils import html_tag
 
 
 if TYPE_CHECKING:
@@ -103,21 +103,20 @@ def __reduce_ex__(self, proto: object) -> tuple[type, tuple[str]]:
         return str, (self.value,)
 
 
-small_font = "font-size: 0.9em; font-weight: lighter;"
-eV_per_atom = styled_html_tag("(eV/atom)", style=small_font)  # noqa: N816
-eV = styled_html_tag("(eV)", style=small_font)  # noqa: N816
-eV_per_angstrom = styled_html_tag("(eV/Å)", style=small_font)  # noqa: N816
-eV_per_kelvin = styled_html_tag("(eV/K)", style=small_font)  # noqa: N816
-angstrom = styled_html_tag("(Å)", style=small_font)
-angstrom_per_atom = styled_html_tag("(Å/atom)", style=small_font)
-cubic_angstrom = styled_html_tag("(Å<sup>3</sup>)", style=small_font)
-gram_per_cm3 = styled_html_tag("(g/cm³)", style=small_font)
-kelvin = styled_html_tag("(K)", style=small_font)
-pascal = styled_html_tag("(Pa)", style=small_font)
-giga_pascal = styled_html_tag("(GPa)", style=small_font)
-joule = styled_html_tag("(J)", style=small_font)
-joule_per_mol = styled_html_tag("(J/mol)", style=small_font)
-joule_per_m2 = styled_html_tag("(J/m²)", style=small_font)
+eV_per_atom = html_tag("(eV/atom)", style="small")  # noqa: N816
+eV = html_tag("(eV)", style="small")  # noqa: N816
+eV_per_angstrom = html_tag("(eV/Å)", style="small")  # noqa: N816
+eV_per_kelvin = html_tag("(eV/K)", style="small")  # noqa: N816
+angstrom = html_tag("(Å)", style="small")
+angstrom_per_atom = html_tag("(Å/atom)", style="small")
+cubic_angstrom = html_tag("(Å<sup>3</sup>)", style="small")
+gram_per_cm3 = html_tag("(g/cm³)", style="small")
+kelvin = html_tag("(K)", style="small")
+pascal = html_tag("(Pa)", style="small")
+giga_pascal = html_tag("(GPa)", style="small")
+joule = html_tag("(J)", style="small")
+joule_per_mol = html_tag("(J/mol)", style="small")
+joule_per_m2 = html_tag("(J/m²)", style="small")
 
 
 @unique

pymatviz/io.py

@@ -11,11 +11,9 @@
 from time import sleep
 from typing import TYPE_CHECKING, Any, Callable, Final, Literal
 
-import cssutils
 import matplotlib.pyplot as plt
 import numpy as np
 import plotly.graph_objects as go
-from bs4 import BeautifulSoup
 from matplotlib import lines as mlines
 from matplotlib import patches as mpatches
 from matplotlib.backends.backend_agg import RendererAgg
@@ -467,16 +465,19 @@ def df_to_svg(
     Raises:
         subprocess.CalledProcessError: If SVG compression fails.
     """
+    import bs4
+    import cssutils
+
     # TODO find a way to not have to hardcode these values
     fig_width, fig_height, dpi = 20, 4, 72  # Using dpi=72 as a standard value
 
     def parse_html(html: str) -> tuple[list[list[list[str | bool | int]]], int]:
         html = html.replace("<br>", "\n")
-        soup = BeautifulSoup(html, features="lxml")
+        soup = bs4.BeautifulSoup(html, features="lxml")
         style = soup.find("style")
         sheet = cssutils.parseString(style.text) if style else []
 
-        def get_style_prop(element: BeautifulSoup, prop_name: str) -> str | None:
+        def get_style_prop(element: bs4.element.Tag, prop_name: str) -> str | None:
             style = element.get("style", "").lower()
             if prop_name in style:
                 return style.split(f"{prop_name}:")[1].split(";")[0].strip()
@@ -559,7 +560,7 @@ def print_table(
         col_widths: list[float],
         row_heights: list[float],
     ) -> Figure:
-        row_colors = ["#f5f5f5", "#ffffff"]
+        row_colors = ("#f5f5f5", "#ffffff")
         padding = font_size / (fig_width * dpi) * 0.5
         total_width = sum(col_widths)
         fig_height = fig.get_figheight()
@@ -586,7 +587,7 @@ def print_table(
             for xd, val in zip(col_widths, row):
                 text, weight, ha, bg_color, fg_color = val[:5]
 
-                if bg_color != "#ffffff":
+                if bg_color != row_colors[1]:
                     rect_bg = mpatches.Rectangle(
                         (x_i, y_i),
                         width=xd,
@@ -627,7 +628,6 @@ def print_table(
 
         return fig
 
-    # Main logic
     html = obj.to_html() if isinstance(obj, Styler) else obj.to_html(notebook=True)
     text_fig = Figure()
     renderer = RendererAgg(fig_width, fig_height, dpi)

pymatviz/utils.py

@@ -418,7 +418,7 @@ def get_cbar_label_formatter(
     return FormatStrFormatter(f"%{cbar_label_fmt}")
 
 
-def styled_html_tag(text: str, tag: str = "span", style: str = "") -> str:
+def html_tag(text: str, tag: str = "span", style: str = "", title: str = "") -> str:
     """Wrap text in a span with custom style.
 
     Style defaults to decreased font size and weight e.g. to display units
@@ -427,11 +427,27 @@ def styled_html_tag(text: str, tag: str = "span", style: str = "") -> str:
     Args:
         text (str): Text to wrap in span.
         tag (str, optional): HTML tag name. Defaults to "span".
-        style (str, optional): CSS style string. Defaults to
-            "font-size: 0.8em; font-weight: lighter;".
+        style (str, optional): CSS style string. Defaults to "". Special keys:
+            "small": font-size: 0.8em; font-weight: lighter;
+            "bold": font-weight: bold;
+            "italic": font-style: italic;
+            "underline": text-decoration: underline;
+        title (str | None, optional): Title attribute which displays additional
+            information in a tooltip. Defaults to "".
+
+    Returns:
+        str: HTML string with tag-wrapped text.
     """
-    style = style or "font-size: 0.8em; font-weight: lighter;"
-    return f"<{tag} {style=}>{text}</{tag}>"
+    style = {
+        "small": "font-size: 0.8em; font-weight: lighter;",
+        "bold": "font-weight: bold;",
+        "italic": "font-style: italic;",
+        "underline": "text-decoration: underline;",
+    }.get(style, style)
+    attr_str = f" {title=}" if title else ""
+    if style:
+        attr_str += f" {style=}"
+    return f"<{tag}{attr_str}>{text}</{tag}>"
 
 
 def validate_fig(func: Callable[P, R]) -> Callable[P, R]:

tests/test_utils.py

@@ -26,13 +26,13 @@
     get_cbar_label_formatter,
     get_fig_xy_range,
     get_font_color,
+    html_tag,
     luminance,
     patch_dict,
     pick_bw_for_contrast,
     pretty_label,
     si_fmt,
     si_fmt_int,
-    styled_html_tag,
     validate_fig,
 )
 from tests.conftest import y_pred, y_true
@@ -395,18 +395,23 @@ def test_values_show_mode(
 
 
 @pytest.mark.parametrize(
-    "text, tag, style",
+    "text, tag, title, style",
     [
-        ("foo", "span", ""),
-        ("bar", "small", "color: red;"),
-        ("baz", "div", "font-size: 0.8em;"),
-        ("", "strong", "font-size: 0.8em; font-weight: lighter;"),
+        ("foo", "span", "", ""),
+        ("bar", "small", "some title", "color: red;"),
+        ("baz", "div", "long title " * 10, "font-size: 0.8em;"),
+        ("", "strong", " ", "font-size: 0.8em; font-weight: lighter;"),
+        ("", "strong", " ", "small"),
     ],
 )
-def test_styled_html_tag(text: str, tag: str, style: str) -> None:
-    style = style or "font-size: 0.8em; font-weight: lighter;"
+def test_html_tag(text: str, tag: str, title: str, style: str) -> None:
+    orig_style = style
+    style = {"small": "font-size: 0.8em; font-weight: lighter;"}.get(style, style)
+    attrs = f" {title=} " if title else ""
+    attrs += f"{style=}" if style else ""
     assert (
-        styled_html_tag(text, tag=tag, style=style) == f"<{tag} {style=}>{text}</{tag}>"
+        html_tag(text, tag=tag, title=title, style=orig_style)
+        == f"<{tag}{attrs}>{text}</{tag}>"
     )