mlip-arena / serve /tools /ptable.py
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update ptable, add statbility, update pyproject.toml
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# NOTE: https://stackoverflow.com/questions/77062368/streamlit-bokeh-event-callback-to-get-clicked-values
# Taptool: https://docs.bokeh.org/en/2.4.2/docs/reference/models/tools.html#taptool
import streamlit as st
from bokeh.plotting import figure
from bokeh.plotting import figure, show
from bokeh.sampledata.periodic_table import elements
from bokeh.transform import dodge, factor_cmap
periods = ["I", "II", "III", "IV", "V", "VI", "VII"]
groups = [str(x) for x in range(1, 19)]
df = elements.copy()
df["atomic mass"] = df["atomic mass"].astype(str)
df["group"] = df["group"].astype(str)
df["period"] = [periods[x-1] for x in df.period]
df = df[df.group != "-"]
df = df[df.symbol != "Lr"]
df = df[df.symbol != "Lu"]
cmap = {
"alkali metal" : "#a6cee3",
"alkaline earth metal" : "#1f78b4",
"metal" : "#d93b43",
"halogen" : "#999d9a",
"metalloid" : "#e08d49",
"noble gas" : "#eaeaea",
"nonmetal" : "#f1d4Af",
"transition metal" : "#599d7A",
}
TOOLTIPS = [
("Name", "@name"),
("Atomic number", "@{atomic number}"),
("Atomic mass", "@{atomic mass}"),
("Type", "@metal"),
("CPK color", "$color[hex, swatch]:CPK"),
("Electronic configuration", "@{electronic configuration}"),
]
p = figure(title="Periodic Table (omitting LA and AC Series)", width=1000, height=450,
x_range=groups, y_range=list(reversed(periods)),
tools="hover", toolbar_location=None, tooltips=TOOLTIPS)
r = p.rect("group", "period", 0.95, 0.95, source=df, fill_alpha=0.6, legend_field="metal",
color=factor_cmap('metal', palette=list(cmap.values()), factors=list(cmap.keys())))
text_props = dict(source=df, text_align="left", text_baseline="middle")
x = dodge("group", -0.4, range=p.x_range)
p.text(x=x, y="period", text="symbol", text_font_style="bold", **text_props)
p.text(x=x, y=dodge("period", 0.3, range=p.y_range), text="atomic number",
text_font_size="11px", **text_props)
p.text(x=x, y=dodge("period", -0.35, range=p.y_range), text="name",
text_font_size="7px", **text_props)
p.text(x=x, y=dodge("period", -0.2, range=p.y_range), text="atomic mass",
text_font_size="7px", **text_props)
p.text(x=["3", "3"], y=["VI", "VII"], text=["LA", "AC"], text_align="center", text_baseline="middle")
p.outline_line_color = None
p.grid.grid_line_color = None
p.axis.axis_line_color = None
p.axis.major_tick_line_color = None
p.axis.major_label_standoff = 0
p.legend.orientation = "horizontal"
p.legend.location ="top_center"
p.hover.renderers = [r] # only hover element boxes
st.bokeh_chart(p, use_container_width=True)
# show(p)