resources.py

# styles and data-munging for the magnet website
import re

trans = str.maketrans('0123456789.-','₀₁₂₃₄₅₆₇₈₉.₋')

def make_unicode_subscripts(string):
   return string.translate(trans)
def make_html_subscripts(string):
   return re.sub(r'([\d\.]+)',  r"<sub>\1</sub>", string)


FONTSIZE="14pt"
TYPEFACE = "Lato"
#SIZES = list(range(6, 22, 3))
#COLORS = Plasma256
TOOLS="box_zoom, reset, hover,tap"

style = {'attrs': {

    # apply defaults to Figure properties
    'Figure': {
        'toolbar_location': "above",
        'outline_line_color': None,
        'min_border_right': 10,
    },
    'Title': {
    'text_font_size':FONTSIZE,
    'text_font_style':'bold',
    'text_font': TYPEFACE,
    },

    # apply defaults to Axis properties
    'Axis': {
        'axis_label_text_font': TYPEFACE,
        'axis_label_text_font_style':'normal',
        'axis_label_text_font_size': FONTSIZE,
        'major_tick_in': None,
        'minor_tick_out': None,
        'minor_tick_in': None,
        'axis_line_color': '#CAC6B6',
        'major_tick_line_color': '#CAC6B6',
        'major_label_text_font_size': FONTSIZE,
        'axis_label_standoff':15
    },

     # apply defaults to Legend properties
    'Legend': {
        'background_fill_alpha': 0.8,
    }
}}


dos_columns_groups = [
("experimental properties",
    [
    "Curie temperature (K)",
    "class",
    "−ΔSm(H = 2T) (J kg⁻¹ K⁻¹)",
    "−ΔSm(H = 5T) (J kg⁻¹ K⁻¹)",
    "source (experimental)",
    ]),
("calculated magnetic properties",
    [
    "gravimetric moment (emu/g)",
    "volumetric moment (emu/cm³)",
    "moment per atom (µB/atom)",
    "largest local moment (µB)",
    "number of unique magnetic sites",
    "closest magnetic ion spacing (Å)",
    "energy of spin-polarization (eV/atom)",
    "magnetic deformation (Σm), %",
#    "Σm x gravimetric moment",
    ]),
("structural properties",
    [
    "spacegroup symbol",
    "density (g/cm³)",
    "number of unique magnetic sites",
    #"closest magnetic ion spacing (Å)",
    ]),
("DOS-related properties",
    [
    "nonmag. DOS at fermi level (states/eV/atom)",
    "nonmag. DOS at fermi level (states/eV/mag. ion)",
    "spin polarization at fermi level (%)",
    ]),
]


dos_cols = [
"Curie temperature (K)",
"−ΔSm(H = 2T) (J kg⁻¹ K⁻¹)",
"−ΔSm(H = 5T) (J kg⁻¹ K⁻¹)",
"magnetic deformation (Σm), %",
"largest local moment (µB)",
"gravimetric moment (emu/g)",
"volumetric moment (emu/cm³)",
"moment per atom (µB/atom)",
"energy of spin-polarization (eV/atom)",
"density (g/cm³)",
"spacegroup symbol",
"source (experimental)",
]

corr_cols = [
"−ΔSm(H = 2T) (J kg⁻¹ K⁻¹)",
"−ΔSm(H = 5T) (J kg⁻¹ K⁻¹)",
"Curie temperature (K)",
"gravimetric moment (emu/g)",
"volumetric moment (emu/cm³)",
"moment per atom (µB/atom)",
"largest local moment (µB)",
"nonmag. DOS at fermi level (states/eV/atom)",
"nonmag. DOS at fermi level (states/eV/mag. ion)",
"energy of spin-polarization (eV/atom)",
"spin polarization at fermi level (%)",
"density (g/cm³)",
#"closest magnetic ion spacing (Å)",
"spacegroup number",
"number of unique magnetic sites",
"magnetic deformation (Σm), %",
]

axis_columns_groups = [
("experimental properties",
    [
    "Curie temperature (K)",
    "class",
    "−ΔSm(H = 2T) (J kg⁻¹ K⁻¹)",
    "−ΔSm(H = 5T) (J kg⁻¹ K⁻¹)",
    "−ΔSm(H = 2T) (mJ cm⁻³ K⁻¹)",
    "−ΔSm(H = 5T) (mJ cm⁻³ K⁻¹)"
    ]),
("calculated magnetic properties",
    [
    "gravimetric moment (emu/g)",
    "volumetric moment (emu/cm³)",
    "moment per atom (µB/atom)",
    "largest local moment (µB)",
    "number of unique magnetic sites",
    "closest magnetic ion spacing (Å)",
    "energy of spin-polarization (eV/atom)",
    "magnetic deformation (Σm), %",
#    "Σm x gravimetric moment",
    ]),
("structural properties",
    [
    "density (g/cm³)",
    "spacegroup number",
    "number of unique magnetic sites",
    "closest magnetic ion spacing (Å)",
    ]),
("DOS-related properties",
    [
    "nonmag. DOS at fermi level (states/eV/atom)",
    "nonmag. DOS at fermi level (states/eV/mag. ion)",
    "spin polarization at fermi level (%)",
    ]),
("magnetocaloric properties",
    [
    "−ΔSm(H = 2T) (J kg⁻¹ K⁻¹)",
    "−ΔSm(H = 5T) (J kg⁻¹ K⁻¹)",
    "−ΔSm(H = 2T) (mJ cm⁻³ K⁻¹)",
    "−ΔSm(H = 5T) (mJ cm⁻³ K⁻¹)",
    "magnetic deformation (Σm), %",
    ]),
]


axis_columns = [
"class",
"element carrying largest moment",
"−ΔSm(H = 2T) (J kg⁻¹ K⁻¹)",
"−ΔSm(H = 5T) (J kg⁻¹ K⁻¹)",
"Curie temperature (K)",
"gravimetric moment (emu/g)",
"volumetric moment (emu/cm³)",
"moment per atom (µB/atom)",
"largest local moment (µB)",
"theoretical density (g/cm³)",
"magnetic volume change (%)",
"magnetic deformation (Σm), %",
#"Σm x gravimetric moment",
]

discrete_columns = {
'element carrying largest moment':["Cr","Mn","Fe","Co","Ni"],
'class':["oxide","heusler","Ni2In-TiNiSi","Fe2P","spinel","NiAs"],
}