#![allow(dead_code)]
pub fn get_index_for_symbol(symbol: &str) -> Option<usize> {
if let Some(index) = HERMANN_MAUGUIN_SYMBOL.iter().position(|i| *i == symbol) {
Some(index + 1)
} else if let Some(index) = HALL_SYMBOL.iter().position(|i| *i == symbol) {
Some(index + 1)
} else {
None
}
}
pub fn get_herman_mauguin_symbol_for_index(index: usize) -> Option<&'static str> {
match HERMANN_MAUGUIN_SYMBOL.get(index - 1) {
Some(n) => Some(*n),
None => None,
}
}
pub fn get_hall_symbol_for_index(index: usize) -> Option<&'static str> {
match HALL_SYMBOL.get(index - 1) {
Some(n) => Some(*n),
None => None,
}
}
pub fn get_transformation(index: usize) -> Option<&'static [[[f64; 4]; 3]]> {
match SYMBOL_TRANSFORMATION.get(index - 1) {
Some(n) => Some(*n),
None => None,
}
}
pub fn get_atomic_number(element: &str) -> Option<usize> {
let mut counter = 1;
let element = element.to_ascii_uppercase();
for item in ELEMENT_SYMBOLS {
if item == &element {
return Some(counter);
}
counter += 1;
}
None
}
pub fn get_atomic_radius(atomic_number: usize) -> Option<f64> {
match ELEMENT_ATOMIC_RADII.get(atomic_number - 1) {
Some(n) => Some(*n),
None => None,
}
}
pub fn get_vanderwaals_radius(atomic_number: usize) -> Option<f64> {
match ELEMENT_VANDERWAALS_RADII.get(atomic_number - 1) {
Some(n) => Some(*n),
None => None,
}
}
pub fn get_covalent_bond_radii(atomic_number: usize) -> (usize, Option<usize>, Option<usize>) {
*ELEMENT_BOND_RADII
.get(atomic_number - 1)
.expect("Invalid atomic number provided for element bond radius lookup. The number should be less than or equal to 118.")
}
pub fn get_amino_acid_number(aa: &str) -> Option<usize> {
let mut counter = 1;
for item in AMINO_ACIDS {
if *item == aa {
return Some(counter);
}
counter += 1;
}
None
}
pub fn valid_remark_type_number(number: usize) -> bool {
REMARK_TYPES.contains(&number)
}
const REMARK_TYPES: [usize; 41] = [
0, 1, 2, 3, 4, 5, 100, 200, 205, 210, 215, 217, 230, 240, 245, 247, 250, 265, 280, 285, 290,
300, 350, 375, 450, 465, 470, 475, 480, 500, 525, 600, 610, 615, 620, 630, 650, 700, 800, 900,
999,
];
const SYMBOL_TRANSFORMATION: &[&[[[f64; 4]; 3]]] = &[
&[],
&[[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
]],
&[[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
]],
&[[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
]],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
],
&[[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
]],
&[[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
]],
&[
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, -0.5],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, -0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, -0.5],
[0.0, 0.0, 1.0, -0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, -0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, -0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 1.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 1.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 1.0],
[0.0, 0.0, -1.0, 1.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
[-1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
],
],
&[
[
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[
[1.0, 0.0, 0.0, -0.25],
[0.0, 0.0, -1.0, -0.75],
[0.0, -1.0, 0.0, -0.25],
],
[
[0.0, 0.0, 1.0, -0.5],
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, -0.5],
],
[
[-1.0, 0.0, 0.0, -0.25],
[0.0, 0.0, 1.0, -0.25],
[0.0, -1.0, 0.0, -0.75],
],
[
[0.0, 0.0, -1.0, 0.0],
[1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, -0.5],
],
[
[-1.0, 0.0, 0.0, -0.25],
[0.0, 0.0, -1.0, -0.75],
[0.0, 1.0, 0.0, -0.75],
],
[
[0.0, 0.0, 1.0, -0.5],
[-1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.0],
],
[
[1.0, 0.0, 0.0, -0.25],
[0.0, 0.0, 1.0, -0.25],
[0.0, 1.0, 0.0, -0.25],
],
[
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, 0.0],
[-1.0, 0.0, 0.0, 0.0],
],
[
[0.0, -1.0, 0.0, -0.5],
[0.0, 0.0, 1.0, -0.5],
[1.0, 0.0, 0.0, 0.0],
],
[
[0.0, 0.0, -1.0, -0.75],
[0.0, -1.0, 0.0, -0.25],
[1.0, 0.0, 0.0, -0.25],
],
[
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, -1.0, -0.5],
[1.0, 0.0, 0.0, -0.5],
],
[
[0.0, 0.0, 1.0, -0.25],
[0.0, 1.0, 0.0, -0.25],
[1.0, 0.0, 0.0, -0.25],
],
[
[0.0, 1.0, 0.0, -0.5],
[0.0, 0.0, 1.0, 0.0],
[-1.0, 0.0, 0.0, -0.5],
],
[
[0.0, 0.0, -1.0, -0.75],
[0.0, 1.0, 0.0, -0.75],
[-1.0, 0.0, 0.0, -0.25],
],
[
[0.0, 0.0, 1.0, -0.75],
[0.0, -1.0, 0.0, -0.25],
[-1.0, 0.0, 0.0, -0.75],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[0.0, -1.0, 0.0, 0.75],
[1.0, 0.0, 0.0, 1.25],
[0.0, 0.0, 1.0, 0.75],
],
[
[-1.0, 0.0, 0.0, 1.0],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 1.0],
],
[
[0.0, 1.0, 0.0, 0.75],
[-1.0, 0.0, 0.0, 0.75],
[0.0, 0.0, 1.0, 1.25],
],
[
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 1.0],
],
[
[0.0, 1.0, 0.0, 0.75],
[1.0, 0.0, 0.0, 1.25],
[0.0, 0.0, -1.0, 1.25],
],
[
[-1.0, 0.0, 0.0, 1.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[0.0, -1.0, 0.0, 0.75],
[-1.0, 0.0, 0.0, 0.75],
[0.0, 0.0, -1.0, 0.75],
],
[
[0.0, 0.0, 1.0, 0.5],
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.75],
[0.0, 0.0, 1.0, 1.25],
[0.0, 1.0, 0.0, 0.75],
],
[
[0.0, 0.0, -1.0, 1.0],
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 1.0],
],
[
[1.0, 0.0, 0.0, 0.75],
[0.0, 0.0, -1.0, 0.75],
[0.0, 1.0, 0.0, 1.25],
],
[
[0.0, 0.0, 1.0, 0.5],
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 1.0],
],
[
[1.0, 0.0, 0.0, 0.75],
[0.0, 0.0, 1.0, 1.25],
[0.0, -1.0, 0.0, 1.25],
],
[
[0.0, 0.0, -1.0, 1.0],
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
],
[
[-1.0, 0.0, 0.0, 0.75],
[0.0, 0.0, -1.0, 0.75],
[0.0, -1.0, 0.0, 0.75],
],
[
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
[1.0, 0.0, 0.0, 0.5],
],
[
[0.0, 1.0, 0.0, 1.0],
[0.0, 0.0, -1.0, 1.0],
[-1.0, 0.0, 0.0, 0.5],
],
[
[0.0, 0.0, 1.0, 1.25],
[0.0, 1.0, 0.0, 0.75],
[-1.0, 0.0, 0.0, 0.75],
],
[
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 1.0],
[-1.0, 0.0, 0.0, 1.0],
],
[
[0.0, 0.0, -1.0, 0.75],
[0.0, -1.0, 0.0, 0.75],
[-1.0, 0.0, 0.0, 0.75],
],
[
[0.0, -1.0, 0.0, 1.0],
[0.0, 0.0, -1.0, 0.5],
[1.0, 0.0, 0.0, 1.0],
],
[
[0.0, 0.0, 1.0, 1.25],
[0.0, -1.0, 0.0, 1.25],
[1.0, 0.0, 0.0, 0.75],
],
[
[0.0, 0.0, -1.0, 1.25],
[0.0, 1.0, 0.0, 0.75],
[1.0, 0.0, 0.0, 1.25],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
],
[
[0.0, 1.0, 0.0, 0.25],
[-1.0, 0.0, 0.0, -0.25],
[0.0, 0.0, -1.0, 0.25],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
],
[
[0.0, -1.0, 0.0, 0.25],
[1.0, 0.0, 0.0, 0.25],
[0.0, 0.0, -1.0, -0.25],
],
[
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.0],
],
[
[0.0, -1.0, 0.0, 0.25],
[-1.0, 0.0, 0.0, -0.25],
[0.0, 0.0, 1.0, -0.25],
],
[
[1.0, 0.0, 0.0, 0.0],
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, 1.0, 0.5],
],
[
[0.0, 1.0, 0.0, 0.25],
[1.0, 0.0, 0.0, 0.25],
[0.0, 0.0, 1.0, 0.25],
],
[
[0.0, 0.0, -1.0, 0.5],
[-1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.25],
[0.0, 0.0, -1.0, -0.25],
[0.0, -1.0, 0.0, 0.25],
],
[
[0.0, 0.0, 1.0, 0.0],
[1.0, 0.0, 0.0, 0.5],
[0.0, -1.0, 0.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.25],
[0.0, 0.0, 1.0, 0.25],
[0.0, -1.0, 0.0, -0.25],
],
[
[0.0, 0.0, -1.0, 0.5],
[1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.0],
],
[
[-1.0, 0.0, 0.0, 0.25],
[0.0, 0.0, -1.0, -0.25],
[0.0, 1.0, 0.0, -0.25],
],
[
[0.0, 0.0, 1.0, 0.0],
[-1.0, 0.0, 0.0, 0.5],
[0.0, 1.0, 0.0, 0.5],
],
[
[1.0, 0.0, 0.0, 0.25],
[0.0, 0.0, 1.0, 0.25],
[0.0, 1.0, 0.0, 0.25],
],
[
[0.0, -1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.5],
[-1.0, 0.0, 0.0, 0.5],
],
[
[0.0, -1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.0],
[1.0, 0.0, 0.0, 0.5],
],
[
[0.0, 0.0, -1.0, -0.25],
[0.0, -1.0, 0.0, 0.25],
[1.0, 0.0, 0.0, 0.25],
],
[
[0.0, 1.0, 0.0, 0.5],
[0.0, 0.0, -1.0, 0.0],
[1.0, 0.0, 0.0, 0.0],
],
[
[0.0, 0.0, 1.0, 0.25],
[0.0, 1.0, 0.0, 0.25],
[1.0, 0.0, 0.0, 0.25],
],
[
[0.0, 1.0, 0.0, 0.0],
[0.0, 0.0, 1.0, 0.5],
[-1.0, 0.0, 0.0, 0.0],
],
[
[0.0, 0.0, -1.0, -0.25],
[0.0, 1.0, 0.0, -0.25],
[-1.0, 0.0, 0.0, 0.25],
],
[
[0.0, 0.0, 1.0, -0.25],
[0.0, -1.0, 0.0, 0.25],
[-1.0, 0.0, 0.0, -0.25],
],
],
];
const ELEMENT_SYMBOLS: &[&str] = &[
"H", "HE", "LI", "BE", "B", "C", "N", "O", "F", "NE", "NA", "MG", "AL", "SI", "P", "S", "CL",
"AR", "K", "CA", "SC", "TI", "V", "CR", "MN", "FE", "CO", "NI", "CU", "ZN", "GA", "GE", "AS",
"SE", "BR", "KR", "RB", "SR", "Y", "ZR", "NB", "MO", "TC", "RU", "RH", "PD", "AG", "CD", "IN",
"SN", "SB", "TE", "I", "XE", "CS", "BA", "LA", "CE", "PR", "ND", "PM", "SM", "EU", "GD", "TB",
"DY", "HO", "ER", "TM", "YB", "LU", "HF", "TA", "W", "RE", "OS", "IR", "PT", "AU", "HG", "TL",
"PB", "BI", "PO", "AT", "RN", "FR", "RA", "AC", "TH", "PA", "U", "NP", "PU", "AM", "CM", "BK",
"CF", "ES", "FM", "MD", "NO", "LR", "RF", "DB", "SG", "BH", "HS", "MT", "DS", "RG", "CN", "NH",
"FL", "MC", "LV", "TS", "OG",
];
const ELEMENT_ATOMIC_RADII: &[f64] = &[
1.54, 1.34, 2.20, 2.19, 2.05, 1.90, 1.79, 1.71, 1.63, 1.56, 2.25, 2.40, 2.39, 2.32, 2.23, 2.14,
2.06, 1.97, 2.34, 2.70, 2.63, 2.57, 2.52, 2.33, 2.42, 2.37, 2.33, 2.29, 2.17, 2.22, 2.33, 2.34,
2.31, 2.24, 2.19, 2.12, 2.40, 2.79, 2.74, 2.69, 2.51, 2.44, 2.52, 2.37, 2.33, 2.15, 2.25, 2.38,
2.46, 2.48, 2.46, 2.42, 2.38, 2.32, 2.49, 2.93, 2.84, 2.82, 2.86, 2.84, 2.83, 2.80, 2.80, 2.77,
2.76, 2.75, 2.73, 2.72, 2.71, 2.77, 2.70, 2.64, 2.58, 2.53, 2.49, 2.44, 2.40, 2.30, 2.26, 2.29,
2.42, 2.49, 2.50, 2.50, 2.47, 2.43, 2.58, 2.92, 2.93, 2.88, 2.85, 2.83, 2.81, 2.78, 2.76, 2.64,
];
const ELEMENT_VANDERWAALS_RADII: &[f64] = &[
1.20, 1.43, 2.12, 1.98, 1.91, 1.77, 1.66, 1.50, 1.46, 1.58, 2.50, 2.51, 2.25, 2.19, 1.90, 1.89,
1.82, 1.83, 2.73, 2.62, 2.58, 2.46, 2.42, 2.45, 2.45, 2.44, 2.40, 2.40, 2.38, 2.39, 2.32, 2.29,
1.88, 1.82, 1.86, 2.25, 3.21, 2.84, 2.75, 2.52, 2.56, 2.45, 2.44, 2.46, 2.44, 2.15, 2.53, 2.49,
2.43, 2.42, 2.47, 1.99, 2.04, 2.06, 3.48, 3.03, 2.98, 2.88, 2.92, 2.95, 2.90, 2.87, 2.83, 2.79,
2.87, 2.81, 2.83, 2.79, 2.80, 2.74, 2.63, 2.53, 2.57, 2.49, 2.48, 2.41, 2.29, 2.32, 2.45, 2.47,
2.60, 2.54, 2.80, 2.93, 2.88, 2.71, 2.82, 2.81, 2.83, 3.05, 3.40, 3.05, 2.70,
];
const ELEMENT_BOND_RADII: &[(usize, Option<usize>, Option<usize>)] = &[
(32, None, None),
(46, None, None),
(133, Some(124), None),
(102, Some(90), Some(85)),
(85, Some(78), Some(73)),
(75, Some(67), Some(60)),
(71, Some(60), Some(54)),
(63, Some(57), Some(53)),
(64, Some(59), Some(53)),
(67, Some(96), None),
(155, Some(160), None),
(139, Some(132), Some(127)),
(126, Some(113), Some(111)),
(116, Some(107), Some(102)),
(111, Some(102), Some(94)),
(103, Some(94), Some(95)),
(99, Some(95), Some(93)),
(96, Some(107), Some(96)),
(196, Some(193), None),
(171, Some(147), Some(133)),
(148, Some(116), Some(114)),
(136, Some(117), Some(108)),
(134, Some(112), Some(106)),
(122, Some(111), Some(103)),
(119, Some(105), Some(103)),
(116, Some(109), Some(102)),
(111, Some(103), Some(96)),
(110, Some(101), Some(101)),
(112, Some(115), Some(120)),
(118, Some(120), None),
(124, Some(117), Some(121)),
(121, Some(111), Some(114)),
(121, Some(114), Some(106)),
(116, Some(107), Some(107)),
(114, Some(109), Some(110)),
(117, Some(121), Some(108)),
(210, Some(202), None),
(185, Some(157), Some(139)),
(163, Some(130), Some(124)),
(154, Some(127), Some(121)),
(147, Some(125), Some(116)),
(138, Some(121), Some(113)),
(128, Some(120), Some(110)),
(125, Some(114), Some(103)),
(125, Some(110), Some(106)),
(120, Some(117), Some(112)),
(128, Some(139), Some(137)),
(136, Some(144), None),
(142, Some(136), Some(146)),
(140, Some(130), Some(132)),
(140, Some(133), Some(127)),
(136, Some(128), Some(121)),
(133, Some(129), Some(125)),
(131, Some(135), Some(122)),
(232, Some(209), None),
(196, Some(161), Some(149)),
(180, Some(139), Some(139)),
(163, Some(137), Some(131)),
(176, Some(138), Some(128)),
(174, Some(137), None),
(173, Some(135), None),
(172, Some(134), None),
(168, Some(134), None),
(169, Some(135), Some(132)),
(168, Some(135), None),
(167, Some(133), None),
(166, Some(133), None),
(165, Some(133), None),
(164, Some(131), None),
(170, Some(129), None),
(162, Some(131), Some(131)),
(152, Some(128), Some(122)),
(146, Some(126), Some(119)),
(137, Some(120), Some(115)),
(131, Some(119), Some(110)),
(129, Some(116), Some(109)),
(122, Some(115), Some(107)),
(123, Some(112), Some(110)),
(124, Some(121), Some(123)),
(133, Some(142), None),
(144, Some(142), Some(150)),
(144, Some(135), Some(137)),
(151, Some(141), Some(135)),
(145, Some(135), Some(129)),
(147, Some(138), Some(138)),
(142, Some(145), Some(133)),
(223, Some(218), None),
(201, Some(173), Some(159)),
(186, Some(153), Some(140)),
(175, Some(143), Some(136)),
(169, Some(138), Some(129)),
(170, Some(134), Some(118)),
(171, Some(136), Some(116)),
(172, Some(135), None),
(166, Some(135), None),
(166, Some(136), None),
(168, Some(139), None),
(168, Some(140), None),
(165, Some(140), None),
(167, Some(167), Some(167)),
(173, Some(139), None),
(176, Some(176), Some(176)),
(161, Some(141), None),
(157, Some(140), Some(131)),
(149, Some(136), Some(126)),
(143, Some(128), Some(121)),
(141, Some(128), Some(119)),
(134, Some(125), Some(118)),
(129, Some(125), Some(113)),
(128, Some(116), Some(112)),
(121, Some(116), Some(118)),
(122, Some(137), Some(130)),
(136, None, None),
(143, None, None),
(162, None, None),
(175, None, None),
(165, None, None),
(157, None, None),
];
const AMINO_ACIDS: &[&str] = &[
"ALA", "ARG", "ASN", "ASP", "CYS", "GLN", "GLU", "GLY", "HIS", "ILE", "LEU", "LYS", "MET",
"PHE", "PRO", "SER", "THR", "TRP", "TYR", "VAL",
];
const HERMANN_MAUGUIN_SYMBOL: &[&str] = &[
"P 1",
"P -1",
"P 1 2 1",
"P 1 21 1",
"C 1 2 1",
"P 1 m 1",
"P 1 c 1",
"C 1 m 1",
"C 1 c 1",
"P 1 2/m 1",
"P 1 21/m 1",
"C 1 2/m 1",
"P 1 2/c 1",
"P 1 21/c 1",
"C 1 2/c 1",
"P 2 2 2",
"P 2 2 21",
"P 21 21 2",
"P 21 21 21",
"C 2 2 21",
"C 2 2 2",
"F 2 2 2",
"I 2 2 2",
"I 21 21 21",
"P m m 2",
"P m c 21",
"P c c 2",
"P m a 2",
"P c a 21",
"P n c 2",
"P m n 21",
"P b a 2",
"P n a 21",
"P n n 2",
"C m m 2",
"C m c 21",
"C c c 2",
"A m m 2",
"A b m 2",
"A m a 2",
"A b a 2",
"F m m 2",
"F d d 2",
"I m m 2",
"I b a 2",
"I m a 2",
"P m m m",
"P n n n :2",
"P c c m",
"P b a n :2",
"P m m a",
"P n n a",
"P m n a",
"P c c a",
"P b a m",
"P c c n",
"P b c m",
"P n n m",
"P m m n :2",
"P b c n",
"P b c a",
"P n m a",
"C m c m",
"C m c a",
"C m m m",
"C c c m",
"C m m a",
"C c c a :2",
"F m m m",
"F d d d :2",
"I m m m",
"I b a m",
"I b c a",
"I m m a",
"P 4",
"P 41",
"P 42",
"P 43",
"I 4",
"I 41",
"P -4",
"I -4",
"P 4/m",
"P 42/m",
"P 4/n :2",
"P 42/n :2",
"I 4/m",
"I 41/a :2",
"P 4 2 2",
"P 4 21 2",
"P 41 2 2",
"P 41 21 2",
"P 42 2 2",
"P 42 21 2",
"P 43 2 2",
"P 43 21 2",
"I 4 2 2",
"I 41 2 2",
"P 4 m m",
"P 4 b m",
"P 42 c m",
"P 42 n m",
"P 4 c c",
"P 4 n c",
"P 42 m c",
"P 42 b c",
"I 4 m m",
"I 4 c m",
"I 41 m d",
"I 41 c d",
"P -4 2 m",
"P -4 2 c",
"P -4 21 m",
"P -4 21 c",
"P -4 m 2",
"P -4 c 2",
"P -4 b 2",
"P -4 n 2",
"I -4 m 2",
"I -4 c 2",
"I -4 2 m",
"I -4 2 d",
"P 4/m m m",
"P 4/m c c",
"P 4/n b m :2",
"P 4/n n c :2",
"P 4/m b m",
"P 4/m n c",
"P 4/n m m :2",
"P 4/n c c :2",
"P 42/m m c",
"P 42/m c m",
"P 42/n b c :2",
"P 42/n n m :2",
"P 42/m b c",
"P 42/m n m",
"P 42/n m c :2",
"P 42/n c m :2",
"I 4/m m m",
"I 4/m c m",
"I 41/a m d :2",
"I 41/a c d :2",
"P 3",
"P 31",
"P 32",
"R 3 :h",
"P -3",
"R -3 :h",
"P 3 1 2",
"P 3 2 1",
"P 31 1 2",
"P 31 2 1",
"P 32 1 2",
"P 32 2 1",
"R 3 2 :h",
"P 3 m 1",
"P 3 1 m",
"P 3 c 1",
"P 3 1 c",
"R 3 m :h",
"R 3 c :h",
"P -3 1 m",
"P -3 1 c",
"P -3 m 1",
"P -3 c 1",
"R -3 m :h",
"R -3 c :h",
"P 6",
"P 61",
"P 65",
"P 62",
"P 64",
"P 63",
"P -6",
"P 6/m",
"P 63/m",
"P 6 2 2",
"P 61 2 2",
"P 65 2 2",
"P 62 2 2",
"P 64 2 2",
"P 63 2 2",
"P 6 m m",
"P 6 c c",
"P 63 c m",
"P 63 m c",
"P -6 m 2",
"P -6 c 2",
"P -6 2 m",
"P -6 2 c",
"P 6/m m m",
"P 6/m c c",
"P 63/m c m",
"P 63/m m c",
"P 2 3",
"F 2 3",
"I 2 3",
"P 21 3",
"I 21 3",
"P m -3",
"P n -3 :2",
"F m -3",
"F d -3 :2",
"I m -3",
"P a -3",
"I a -3",
"P 4 3 2",
"P 42 3 2",
"F 4 3 2",
"F 41 3 2",
"I 4 3 2",
"P 43 3 2",
"P 41 3 2",
"I 41 3 2",
"P -4 3 m",
"F -4 3 m",
"I -4 3 m",
"P -4 3 n",
"F -4 3 c",
"I -4 3 d",
"P m -3 m",
"P n -3 n :2",
"P m -3 n",
"P n -3 m :2",
"F m -3 m",
"F m -3 c",
"F d -3 m :2",
"F d -3 c :2",
"I m -3 m",
"I a -3 d",
];
const HALL_SYMBOL: &[&str] = &[
"P 1",
"-P 1",
"P 2y",
"P 2yb",
"C 2y",
"P -2y",
"P -2yc",
"C -2y",
"C -2yc",
"-P 2y",
"-P 2yb",
"-C 2y",
"-P 2yc",
"-P 2ybc",
"-C 2yc",
" P 2 2",
"P 2c 2",
"P 2 2ab",
"P 2ac 2ab",
"C 2c 2",
"C 2 2",
"F 2 2",
"I 2 2",
"I 2b 2c",
"P 2 -2",
"P 2c -2",
"P 2 -2c",
"P 2 -2a",
"P 2c -2ac",
"P 2 -2bc",
"P 2ac -2",
"P 2 -2ab",
"P 2c -2n",
"P 2 -2n",
"C 2 -2",
"C 2c -2",
"C 2 -2c",
"A 2 -2",
"A 2 -2b",
"A 2 -2a",
"A 2 -2ab",
"F 2 -2",
"F 2 -2d",
"I 2 -2",
"I 2 -2c",
"I 2 -2a",
"-P 2 2",
"-P 2ab 2bc",
"-P 2 2c",
"-P 2ab 2b",
"-P 2a 2a",
"-P 2a 2bc",
"-P 2ac 2",
"-P 2a 2ac",
"-P 2 2ab",
"-P 2ab 2ac",
"-P 2c 2b",
"-P 2 2n",
"-P 2ab 2a",
"-P 2n 2ab",
"-P 2ac 2ab",
"-P 2ac 2n",
"-C 2c 2",
"-C 2ac 2",
"-C 2 2",
"-C 2 2c",
"-C 2a 2",
"-C 2a 2ac",
"-F 2 2",
"-F 2uv 2vw",
"-I 2 2",
"-I 2 2c",
"-I 2b 2c",
"-I 2b 2",
"P 4",
"P 4w",
"P 4c",
"P 4cw",
"I 4",
"I 4bw",
"P -4",
"I -4",
"-P 4",
"-P 4c",
"-P 4a",
"-P 4bc",
"-I 4",
"-I 4ad",
"P 4 2",
"P 4ab 2ab",
"P 4w 2c",
"P 4abw 2nw",
"P 4c 2",
"P 4n 2n",
"P 4cw 2c",
"P 4nw 2abw",
"I 4 2",
"I 4bw 2bw",
"P 4 -2",
"P 4 -2ab",
"P 4c -2c",
"P 4n -2n",
"P 4 -2c",
"P 4 -2n",
"P 4c -2",
"P 4c -2ab",
"I 4 -2",
"I 4 -2c",
"I 4bw -2",
"I 4bw -2c",
"P -4 2",
"P -4 2c",
"P -4 2ab",
"P -4 2n",
"P -4 -2",
"P -4 -2c",
"P -4 -2ab",
"P -4 -2n",
"I -4 -2",
"I -4 -2c",
"I -4 2",
"I -4 2bw",
"-P 4 2",
"-P 4 2c",
"-P 4a 2b",
"-P 4a 2bc",
"-P 4 2ab",
"-P 4 2n",
"-P 4a 2a",
"-P 4a 2ac",
"-P 4c 2",
"-P 4c 2c",
"-P 4ac 2b",
"-P 4ac 2bc",
"-P 4c 2ab",
"-P 4n 2n",
"-P 4ac 2a",
"-P 4ac 2ac",
"-I 4 2",
"-I 4 2c",
"-I 4bd 2",
"-I 4bd 2c",
"P 3",
"P 31",
"P 32",
"R 3",
"-P 3",
"-R 3",
"P 3 2",
"P 3 2\"",
"P 31 2 (0 0 4)",
"P 31 2\"",
"P 32 2 (0 0 2)",
"P 32 2\"",
"R 3 2\"",
"P 3 -2\"",
"P 3 -2",
"P 3 -2\"c",
"P 3 -2c",
"R 3 -2\"",
"R 3 -2\"c",
"-P 3 2",
"-P 3 2c",
"-P 3 2\"",
"-P 3 2\"c",
"-R 3 2\"",
"-R 3 2\"c",
"P 6",
"P 61",
"P 65",
"P 62",
"P 64",
"P 6c",
"P -6",
"-P 6",
"-P 6c",
"P 6 2",
"P 61 2 (0 0 5)",
"P 65 2 (0 0 1)",
"P 62 2 (0 0 4)",
"P 64 2 (0 0 2)",
"P 6c 2c",
"P 6 -2",
"P 6 -2c",
"P 6c -2",
"P 6c -2c",
"P -6 2",
"P -6c 2",
"P -6 -2",
"P -6c -2c",
"-P 6 2",
"-P 6 2c",
"-P 6c 2",
"-P 6c 2c",
"P 2 2 3",
"F 2 2 3",
"I 2 2 3",
"P 2ac 2ab 3",
"I 2b 2c 3",
"-P 2 2 3",
"-P 2ab 2bc 3",
"-F 2 2 3",
"-F 2uv 2vw 3",
"-I 2 2 3",
"-P 2ac 2ab 3",
"-I 2b 2c 3",
"P 4 2 3",
"P 4n 2 3",
"F 4 2 3",
"F 4d 2 3",
"I 4 2 3",
"P 4acd 2ab 3",
"P 4bd 2ab 3",
"I 4bd 2c 3",
"P -4 2 3",
"F -4 2 3",
"I -4 2 3",
"P -4n 2 3",
"F -4a 2 3",
"I -4bd 2c 3",
"-P 4 2 3",
"-P 4a 2bc 3",
"-P 4n 2 3",
"-P 4bc 2bc 3",
"-F 4 2 3",
"-F 4a 2 3",
"-F 4vw 2vw 3",
"-F 4ud 2vw 3",
"-I 4 2 3",
"-I 4bd 2c 3",
];