def unicodeify_spacegroup(spacegroup_symbol):
# TODO: move this to pymatgen
if not spacegroup_symbol:
return ""
subscript_unicode_map = {
0: "₀",
1: "₁",
2: "₂",
3: "₃",
4: "₄",
5: "₅",
6: "₆",
7: "₇",
8: "₈",
9: "₉",
}
symbol = latexify_spacegroup(spacegroup_symbol)
for number, unicode_number in subscript_unicode_map.items():
symbol = symbol.replace("$_{" + str(number) + "}$", unicode_number)
symbol = symbol.replace("_" + str(number), unicode_number)
overline = "\u0305" # u"\u0304" (macron) is also an option
symbol = symbol.replace("$\\overline{", overline)
symbol = symbol.replace("$", "")
symbol = symbol.replace("{", "")
symbol = symbol.replace("}", "")
return symbol
def get_mineral_description(self) -> str:
"""Gets the mineral name and space group description.
If the structure is a perfect match for a known prototype (e.g.
the distance parameter is -1, the mineral name is the prototype name.
If a structure is not a perfect match but similar to a known mineral,
"-like" will be added to the mineral name. If the structure is a good
match to a mineral but contains a different number of element types than
the mineral prototype, "-derived" will be added to the mineral name.
Returns:
The description of the mineral name.
"""
spg_symbol = self._da.spg_symbol
formula = self._da.formula
if self.fmt == "latex":
spg_symbol = latexify_spacegroup(self._da.spg_symbol)
formula = latexify(formula)
elif self.fmt == "unicode":
spg_symbol = unicodeify_spacegroup(self._da.spg_symbol)
formula = unicodeify(formula)
elif self.fmt == "html":
spg_symbol = htmlify_spacegroup(self._da.spg_symbol)
formula = htmlify(formula)
mineral_name = get_mineral_name(self._da.mineral)
if mineral_name:
desc = f"{formula} is {mineral_name} structured and"
else:
desc = f"{formula}"
desc += " crystallizes in the {} {} space group.".format(
self._da.crystal_system, spg_symbol
)
return desc
def unicodeify_spacegroup(spacegroup_symbol: str) -> str:
"""Formats a spacegroup using unicode symbols.
E.g. Fd-3m -> Fd̅3m
Args:
spacegroup_symbol: A spacegroup symbol.
Returns:
The unicode formatted spacegroup symbol.
"""
subscript_unicode_map = {
0: "₀",
1: "₁",
2: "₂",
3: "₃",
4: "₄",
5: "₅",
6: "₆",
7: "₇",
8: "₈",
9: "₉"
}
symbol = latexify_spacegroup(spacegroup_symbol)
for number, unicode_number in subscript_unicode_map.items():
symbol = symbol.replace("$_{" + str(number) + "}$", unicode_number)
overline = "\u0305" # u"\u0304" (macron) is also an option
symbol = symbol.replace("$\\overline{", overline)
symbol = symbol.replace("$", "")
symbol = symbol.replace("{", "")
symbol = symbol.replace("}", "")
return symbol
def test_latexify_spacegroup(self):
self.assertEqual(latexify_spacegroup("Fd-3m"), "Fd$\\overline{3}$m")
self.assertEqual(latexify_spacegroup("P2_1/c"), "P2$_{1}$/c")
def test_latexify_spacegroup(self):
self.assertEqual(latexify_spacegroup("Fd-3m"), "Fd$\\overline{3}$m")
self.assertEqual(latexify_spacegroup("P2_1/c"), "P2$_{1}$/c")
