chematic-ff 0.6.0

//! MMFF94 torsion parameters (Halgren 1996 Table VI).

use super::TorsionEnergyParams;

/// 926 torsion entries (Halgren 1996 Table VI). Sorted by (tors_type, type_i, type_j, type_k, type_l).
/// type_i=0 or type_l=0 → wildcard (matches any atom type).
pub static MMFF94_TORSION_ENERGY: &[(u8, u8, u8, u8, u8, f64, f64, f64)] = &[
    (0, 0, 1, 1, 0, 0.0000, 0.0000, 0.3000),
    (0, 0, 1, 2, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 2, 2, 0.0000, 0.0000, -0.6500),
    (0, 0, 1, 3, 0, 0.0000, 0.4000, 0.3000),
    (0, 0, 1, 3, 1, 0.0000, 0.0000, 0.5500),
    (0, 0, 1, 3, 5, 0.0000, 0.2000, 0.7000),
    (0, 0, 1, 3, 7, 0.0000, 0.4000, 0.4000),
    (0, 0, 1, 4, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 6, 0, 0.0000, 0.0000, 0.2000),
    (0, 0, 1, 8, 0, 0.0000, -0.3000, 0.5000),
    (0, 0, 1, 9, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 10, 0, 0.0000, 0.0000, 0.3000),
    (0, 0, 1, 10, 3, 0.0000, 0.0000, 1.0000),
    (0, 0, 1, 15, 0, 0.0000, 0.0000, 0.4000),
    (0, 0, 1, 17, 0, 0.0000, 0.0000, 0.3500),
    (0, 0, 1, 18, 0, 0.0000, 0.0000, 0.1000),
    (0, 0, 1, 19, 0, 0.0000, 0.0000, 0.1500),
    (0, 0, 1, 20, 0, 0.0000, 0.0000, 0.3500),
    (0, 0, 1, 22, 0, 0.0000, 0.0000, 0.2360),
    (0, 0, 1, 25, 0, 0.0000, 0.0000, 0.3000),
    (0, 0, 1, 26, 0, 0.0000, 0.0000, 0.4500),
    (0, 0, 1, 34, 0, 0.0000, 0.0000, 0.2500),
    (0, 0, 1, 37, 0, 0.0000, 0.0000, 0.2000),
    (0, 0, 1, 39, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 40, 0, 0.0000, 0.0000, 0.2500),
    (0, 0, 1, 41, 0, 0.0000, 0.6000, 0.0000),
    (0, 0, 1, 43, 0, 0.0000, 0.0000, 0.1500),
    (0, 0, 1, 45, 0, 0.0000, 0.0000, 0.1000),
    (0, 0, 1, 46, 0, 0.0000, 0.0000, -0.5000),
    (0, 0, 1, 54, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 55, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 56, 0, 0.0000, 0.0000, -0.3000),
    (0, 0, 1, 57, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 58, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 62, 0, 0.0000, 0.0000, 0.2500),
    (0, 0, 1, 63, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 64, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 67, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 68, 0, 0.0000, 0.0000, 0.4000),
    (0, 0, 1, 73, 0, 0.0000, 0.0000, 0.5000),
    (0, 0, 1, 75, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 78, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 80, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 1, 81, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 2, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 2, 6, 0, 0.0000, 3.1000, 0.0000),
    (0, 0, 2, 10, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 2, 15, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 2, 17, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 2, 18, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 19, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 20, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 22, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 25, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 30, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 2, 34, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 2, 40, 0, 0.0000, 3.7000, 0.0000),
    (0, 0, 2, 41, 0, 0.0000, 1.2000, 0.0000),
    (0, 0, 2, 43, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 2, 45, 0, 0.0000, 2.2000, 0.0000),
    (0, 0, 2, 46, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 2, 55, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 2, 56, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 2, 62, 0, 0.0000, 8.0000, 0.0000),
    (0, 0, 3, 6, 0, 0.0000, 5.5000, 0.0000),
    (0, 0, 3, 9, 0, 0.0000, 16.0000, 0.0000),
    (0, 0, 3, 10, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 3, 15, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 3, 17, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 3, 18, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 3, 20, 0, 0.0000, 0.0000, -0.3000),
    (0, 0, 3, 22, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 3, 25, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 3, 40, 0, 0.0000, 3.9000, 0.0000),
    (0, 0, 3, 41, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 3, 43, 0, 0.0000, 4.5000, 0.0000),
    (0, 0, 3, 45, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 3, 48, 0, 0.0000, 0.0000, 0.8920),
    (0, 0, 3, 51, 0, 0.0000, 13.5000, 0.0000),
    (0, 0, 3, 54, 0, 0.0000, 8.0000, 0.0000),
    (0, 0, 3, 55, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 3, 56, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 3, 62, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 3, 67, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 3, 74, 0, 0.0000, 19.0000, 0.0000),
    (0, 0, 3, 75, 0, 0.0000, 19.0000, 0.0000),
    (0, 0, 6, 6, 0, 0.0000, -2.0000, 0.0000),
    (0, 0, 6, 8, 0, 0.9000, -1.1000, -0.5000),
    (0, 0, 6, 9, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 10, 0, 1.2000, 0.5000, -1.0000),
    (0, 0, 6, 15, 0, 0.0000, -4.0000, 0.0000),
    (0, 0, 6, 17, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 6, 18, 0, 0.0000, 0.0000, 0.1000),
    (0, 0, 6, 19, 0, 0.0000, 0.0000, 0.1500),
    (0, 0, 6, 20, 0, 0.0000, 0.0000, 0.4000),
    (0, 0, 6, 22, 0, 0.0000, 0.0000, 0.2170),
    (0, 0, 6, 25, 0, 0.0000, 0.0000, 0.6500),
    (0, 0, 6, 26, 0, 0.0000, 0.0000, 0.3460),
    (0, 0, 6, 30, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 37, 0, 0.0000, 3.2000, 0.0000),
    (0, 0, 6, 39, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 6, 40, 0, 0.0000, 0.0000, 0.2740),
    (0, 0, 6, 41, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 43, 0, 0.0000, 0.0000, 0.2740),
    (0, 0, 6, 45, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 6, 54, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 55, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 57, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 58, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 63, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 6, 64, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 8, 8, 0, 0.0000, 0.0000, 0.3750),
    (0, 0, 8, 9, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 8, 10, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 8, 15, 0, 0.0000, 0.0000, 0.4240),
    (0, 0, 8, 17, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 8, 19, 0, 0.0000, 0.0000, 0.2250),
    (0, 0, 8, 20, 0, 0.0000, 0.0000, 0.3500),
    (0, 0, 8, 22, 0, 0.0000, 0.0000, 0.2970),
    (0, 0, 8, 25, 0, 0.0000, 0.0000, 0.3160),
    (0, 0, 8, 26, 0, 0.0000, 0.0000, 0.4740),
    (0, 0, 8, 34, 0, 0.0000, 0.0000, 0.2500),
    (0, 0, 8, 39, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 8, 40, 0, 0.0000, 0.0000, 0.3750),
    (0, 0, 8, 43, 0, 0.0000, 0.0000, 0.3750),
    (0, 0, 8, 45, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 8, 46, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 8, 55, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 8, 56, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 9, 9, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 9, 10, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 9, 15, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 9, 18, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 9, 19, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 9, 20, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 9, 25, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 9, 34, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 9, 40, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 9, 41, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 9, 45, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 9, 54, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 9, 55, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 9, 56, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 9, 62, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 9, 67, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 10, 10, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 15, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 17, 0, 0.0000, 4.7430, 0.0000),
    (0, 0, 10, 20, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 22, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 25, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 26, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 34, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 37, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 10, 39, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 40, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 10, 41, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 10, 45, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 10, 63, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 10, 64, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 15, 15, 0, -1.4000, -8.3000, 1.0000),
    (0, 0, 15, 18, 0, 0.0000, 0.0000, 0.1600),
    (0, 0, 15, 19, 0, 0.0000, 0.0000, 0.2550),
    (0, 0, 15, 20, 0, 0.0000, 0.0000, 0.3360),
    (0, 0, 15, 22, 0, 0.0000, 0.0000, 0.3360),
    (0, 0, 15, 25, 0, 0.0000, 0.0000, 0.3580),
    (0, 0, 15, 26, 0, 0.0000, 0.0000, 0.5370),
    (0, 0, 15, 30, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 15, 37, 0, 0.0000, 1.3000, 0.0000),
    (0, 0, 15, 40, 0, 0.0000, 0.0000, 0.4240),
    (0, 0, 15, 43, 0, 0.0000, 0.0000, 0.4240),
    (0, 0, 15, 57, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 15, 63, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 15, 64, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 17, 20, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 17, 22, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 17, 37, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 17, 43, 0, 0.0000, 3.7950, 0.0000),
    (0, 0, 18, 20, 0, 0.0000, 0.0000, 0.1120),
    (0, 0, 18, 22, 0, 0.0000, 0.0000, 0.1120),
    (0, 0, 18, 37, 0, 0.0000, -1.2000, -0.3000),
    (0, 0, 18, 39, 0, 0.0000, 0.0000, 0.5000),
    (0, 0, 18, 43, 0, 0.0000, 0.0000, 0.3500),
    (0, 0, 18, 48, 0, 0.0000, 0.0000, 0.4000),
    (0, 0, 18, 55, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 18, 58, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 18, 62, 0, 0.0000, 0.0000, 0.5000),
    (0, 0, 18, 63, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 18, 64, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 18, 80, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 19, 20, 0, 0.0000, 0.0000, 0.1790),
    (0, 0, 19, 37, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 19, 40, 0, 0.0000, 0.0000, 0.2250),
    (0, 0, 19, 63, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 19, 75, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 20, 20, 0, 0.0000, 0.0000, 0.2000),
    (0, 0, 20, 22, 0, 0.0000, 0.0000, 0.2360),
    (0, 0, 20, 25, 0, 0.0000, 0.0000, 0.2510),
    (0, 0, 20, 26, 0, 0.0000, 0.0000, 0.3760),
    (0, 0, 20, 30, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 20, 30, 30, 0.0000, 0.0000, -0.5000),
    (0, 0, 20, 34, 0, 0.0000, 0.0000, 0.1980),
    (0, 0, 20, 37, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 20, 40, 0, 0.0000, 0.0000, 0.2970),
    (0, 0, 20, 41, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 20, 43, 0, 0.0000, 0.0000, 0.2970),
    (0, 0, 20, 45, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 22, 22, 0, 0.0000, 0.0000, 0.2360),
    (0, 0, 22, 30, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 22, 34, 0, 0.0000, 0.0000, 0.1980),
    (0, 0, 22, 37, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 22, 40, 0, 0.0000, 0.0000, 0.2970),
    (0, 0, 22, 41, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 22, 43, 0, 0.0000, 0.0000, 0.2970),
    (0, 0, 22, 45, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 25, 25, 0, 0.0000, 0.0000, 0.2670),
    (0, 0, 25, 37, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 25, 39, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 25, 40, 0, 0.0000, 0.0000, 0.3160),
    (0, 0, 25, 43, 0, 0.0000, 0.0000, 0.2500),
    (0, 0, 25, 57, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 25, 63, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 26, 26, 0, 0.0000, 0.0000, 0.6000),
    (0, 0, 26, 34, 0, 0.0000, 0.0000, 0.3160),
    (0, 0, 26, 37, 0, 0.0000, 1.4230, 0.0000),
    (0, 0, 26, 40, 0, 0.0000, 0.0000, 0.4740),
    (0, 0, 30, 30, 0, 0.0000, 12.0000, 0.0000),
    (0, 0, 30, 40, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 34, 37, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 34, 43, 0, 0.0000, 0.0000, 0.2500),
    (0, 0, 37, 37, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 37, 38, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 37, 39, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 37, 40, 0, 0.0000, 4.0000, 0.0000),
    (0, 0, 37, 41, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 37, 43, 0, 0.0000, 2.0000, 1.8000),
    (0, 0, 37, 45, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 37, 46, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 37, 55, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 37, 56, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 37, 58, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 37, 62, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 37, 63, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 37, 64, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 37, 69, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 37, 78, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 37, 81, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 38, 38, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 38, 58, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 38, 63, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 38, 64, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 38, 69, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 38, 78, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 39, 40, 0, 0.0000, 0.0000, 0.0000),
    (0, 0, 39, 45, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 39, 63, 0, 0.0000, 4.0000, 0.0000),
    (0, 0, 39, 64, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 39, 65, 0, 0.0000, 4.0000, 0.0000),
    (0, 0, 39, 78, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 40, 40, 0, 0.0000, 0.0000, 0.3750),
    (0, 0, 40, 45, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 40, 46, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 40, 54, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 40, 63, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 40, 64, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 40, 78, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 41, 41, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 41, 55, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 41, 62, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 41, 80, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 43, 43, 0, 0.0000, 0.0000, 0.3750),
    (0, 0, 43, 45, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 43, 64, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 44, 57, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 44, 63, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 44, 65, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 44, 78, 0, 0.0000, 2.8460, 0.0000),
    (0, 0, 44, 80, 0, 0.0000, 2.8460, 0.0000),
    (0, 0, 45, 63, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 45, 64, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 45, 78, 0, 0.0000, 1.8000, 0.0000),
    (0, 0, 55, 57, 0, 0.0000, 10.0000, 0.0000),
    (0, 0, 55, 62, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 55, 64, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 55, 80, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 56, 57, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 56, 63, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 56, 80, 0, 0.0000, 4.8000, 0.0000),
    (0, 0, 58, 63, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 58, 64, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 59, 63, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 59, 65, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 59, 78, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 59, 80, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 59, 82, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 62, 63, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 62, 64, 0, 0.0000, 3.6000, 0.0000),
    (0, 0, 63, 64, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 63, 66, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 63, 78, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 63, 81, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 64, 64, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 64, 65, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 64, 66, 0, 0.0000, 7.0000, 0.0000),
    (0, 0, 64, 78, 0, 0.0000, 6.0000, 0.0000),
    (0, 0, 64, 81, 0, 0.0000, 6.0000, 0.0000),
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    (0, 7, 3, 43, 18, -0.8800, 5.0910, -0.1290),
    (0, 7, 3, 43, 28, 0.5360, 5.2760, -0.5560),
    (0, 8, 1, 1, 8, 1.0550, 0.8340, 0.0000),
    (0, 8, 1, 2, 1, -0.5040, 0.3710, 0.5570),
    (0, 8, 1, 2, 2, 0.5410, 0.5390, -1.0090),
    (0, 8, 1, 2, 5, 0.0000, 0.2040, 0.4640),
    (0, 9, 3, 40, 28, 1.4960, 4.3690, -0.4170),
    (0, 10, 1, 3, 7, 0.3380, 2.7720, 2.1450),
    (0, 10, 1, 3, 10, 0.5480, 0.0000, 1.7950),
    (0, 10, 3, 10, 28, 0.0000, 3.4950, 1.2910),
    (0, 11, 1, 1, 11, -0.3870, -0.5430, 1.4050),
    (0, 12, 1, 1, 12, 0.0000, 0.0000, 0.8930),
    (0, 12, 20, 20, 20, 0.0770, 0.2020, 0.1830),
    (0, 15, 1, 1, 15, -0.1770, 0.0000, 0.0490),
    (0, 15, 37, 37, 37, 0.0000, 7.0000, 0.0000),
    (0, 18, 37, 37, 37, 0.0000, 7.0000, 0.0000),
    (0, 18, 39, 63, 5, 0.0000, 4.0000, 0.0000),
    (0, 18, 39, 63, 64, 0.0000, 4.0000, 0.0000),
    (0, 20, 3, 20, 5, 0.0000, 0.0000, 0.0850),
    (0, 20, 3, 20, 20, 0.0000, 0.0000, 0.0000),
    (0, 20, 6, 20, 5, 0.0000, 0.0000, -0.0790),
    (0, 20, 8, 20, 5, 0.0000, 0.1200, 0.4720),
    (0, 21, 6, 8, 1, 0.2610, -0.3300, -0.5420),
    (0, 21, 6, 8, 23, 1.5030, -1.8530, -0.4760),
    (0, 21, 6, 10, 1, 0.8750, 0.1800, -0.7330),
    (0, 21, 6, 10, 3, 0.5290, 0.0000, -1.1630),
    (0, 21, 6, 19, 1, -0.6200, -0.3290, 0.3030),
    (0, 21, 6, 19, 5, 0.6830, 0.2200, 0.0000),
    (0, 23, 8, 20, 5, -0.1010, -0.3240, 0.3710),
    (0, 23, 8, 20, 20, 0.1070, 0.2530, 0.1510),
    (0, 24, 6, 25, 6, -3.2090, -7.6220, 1.0650),
    (0, 24, 6, 25, 32, -5.8910, -3.3320, 0.2900),
    (0, 29, 6, 37, 37, 0.0000, 2.8010, 0.0000),
    (0, 32, 18, 37, 37, -0.1730, -0.9650, -0.6100),
    (0, 32, 18, 39, 63, 0.0000, 0.6870, 0.6800),
    (0, 32, 18, 43, 1, 1.5880, 1.4990, 1.4100),
    (0, 32, 18, 43, 3, 0.6530, 0.2540, 0.0000),
    (0, 32, 18, 43, 28, 0.5280, 0.3420, 0.0000),
    (0, 32, 18, 43, 37, 0.8120, 1.5130, 1.2660),
    (0, 32, 18, 48, 28, -1.4630, -2.5480, 0.3100),
    (0, 32, 18, 62, 1, 0.2910, 0.3850, 0.5820),
    (0, 32, 25, 43, 1, 2.1080, 1.8960, 0.9650),
    (0, 32, 25, 43, 28, 2.9770, 0.7320, -0.5020),
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    (0, 33, 6, 18, 6, -1.6230, 0.2040, 0.4380),
    (0, 33, 6, 18, 32, 1.6160, 0.4250, 0.1910),
    (0, 36, 55, 57, 5, -0.2680, 8.0770, -0.8060),
    (0, 36, 55, 57, 55, 0.2730, 8.0250, 0.6920),
    (0, 36, 56, 57, 56, 0.0000, 4.6880, 0.1070),
    (0, 37, 1, 6, 21, 0.7120, 1.3200, -0.5070),
    (0, 37, 18, 39, 63, 0.0000, -0.5130, 0.3570),
    (0, 37, 18, 43, 1, -1.1390, -0.7030, 1.0880),
    (0, 37, 18, 43, 28, -2.0140, -1.6460, -2.0680),
    (0, 37, 18, 43, 37, -1.5190, -0.3280, 1.4370),
    (0, 37, 37, 37, 37, 0.0000, 7.0000, 0.0000),
    (0, 37, 37, 37, 40, 0.0000, 7.0000, 0.0000),
    (0, 37, 37, 37, 43, 0.0000, 7.0000, 0.0000),
    (0, 37, 37, 40, 1, 0.0000, 4.3360, 0.3700),
    (0, 37, 37, 40, 28, 0.7150, 2.6280, 3.3550),
    (0, 37, 37, 43, 18, 0.3720, 2.2840, 2.0340),
    (0, 37, 37, 43, 28, 0.0000, 1.6940, 1.5080),
    (0, 39, 18, 37, 37, 0.0000, -0.7600, 0.2270),
    (0, 39, 63, 64, 5, 0.0000, 7.0000, 0.0000),
    (0, 39, 63, 64, 64, 0.0000, 7.0000, 0.0000),
    (0, 40, 3, 9, 1, -0.7580, 18.2160, -0.1880),
    (0, 40, 3, 9, 27, 0.0000, 16.0000, 0.0000),
    (0, 40, 3, 40, 28, 0.1780, 3.1490, 0.7780),
    (0, 43, 18, 37, 37, 0.2280, -1.7410, -0.3710),
    (0, 43, 18, 43, 28, 3.0110, -1.4050, 2.0380),
    (0, 63, 39, 63, 5, 0.0000, 4.0000, 0.0000),
    (0, 63, 39, 63, 64, 0.0000, 4.0000, 0.0000),
    (0, 63, 64, 64, 63, 0.0000, 7.0000, 0.0000),
    (0, 71, 15, 37, 37, 0.0000, 0.5050, 0.3330),
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    (1, 0, 2, 9, 0, 0.0000, 1.8000, 0.0000),
    (1, 0, 2, 37, 0, 0.0000, 2.0000, 0.0000),
    (1, 0, 2, 39, 0, 0.0000, 6.0000, 0.0000),
    (1, 0, 2, 63, 0, 0.0000, 1.8000, 0.0000),
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    (1, 0, 2, 67, 0, 0.0000, 1.8000, 0.0000),
    (1, 0, 2, 81, 0, 0.0000, 4.8000, 0.0000),
    (1, 0, 3, 3, 0, 0.0000, 0.6000, 0.0000),
    (1, 0, 3, 9, 0, 0.0000, 1.8000, 0.0000),
    (1, 0, 3, 30, 0, 0.0000, 1.8000, 0.0000),
    (1, 0, 3, 37, 0, 0.0000, 2.5000, 0.0000),
    (1, 0, 3, 39, 0, 0.0000, 5.5000, 0.0000),
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    (1, 1, 2, 3, 1, 0.1360, 1.7980, 0.6300),
    (1, 1, 2, 3, 5, 0.4970, 2.4050, 0.3570),
    (1, 1, 2, 3, 6, -0.2110, 1.9250, -0.1310),
    (1, 1, 2, 3, 7, -0.4010, 2.0280, -0.3180),
    (1, 1, 2, 3, 10, -0.0840, 2.2140, -0.6100),
    (1, 1, 2, 37, 37, 0.0000, 2.9520, -0.0790),
    (1, 1, 3, 3, 1, -0.4860, 0.7140, 0.0000),
    (1, 1, 3, 3, 6, -0.0810, -0.1250, 0.1320),
    (1, 1, 3, 3, 7, 1.0530, 1.3270, 0.0000),
    (1, 1, 3, 37, 37, 0.0000, 2.4280, 0.0000),
    (1, 2, 2, 2, 2, 0.0940, 1.6210, 0.8770),
    (1, 2, 2, 2, 5, 0.3170, 1.4210, -0.8700),
    (1, 2, 2, 3, 1, -0.3250, 1.5530, -0.4870),
    (1, 2, 2, 3, 5, -0.2950, 2.0240, -0.5900),
    (1, 2, 2, 3, 6, -0.1430, 1.4660, 0.0000),
    (1, 2, 2, 3, 7, 0.3620, 1.9780, 0.0000),
    (1, 2, 2, 3, 9, 0.2960, 1.5140, 0.4810),
    (1, 2, 2, 3, 10, 0.0950, 1.5830, 0.3800),
    (1, 2, 2, 37, 37, 0.0000, 1.5420, 0.4340),
    (1, 5, 2, 2, 5, -0.4060, 1.7670, 0.0000),
    (1, 5, 2, 3, 1, 0.2130, 1.7280, -0.0420),
    (1, 5, 2, 3, 5, -0.2080, 1.6220, 0.2230),
    (1, 5, 2, 3, 6, 0.3590, 1.5390, 0.1940),
    (1, 5, 2, 3, 7, 0.0000, 2.0460, 0.0000),
    (1, 5, 2, 3, 9, -0.2900, 1.5190, -0.4700),
    (1, 5, 2, 3, 10, 0.0000, 1.3950, 0.2270),
    (1, 5, 2, 37, 37, 0.0000, 1.3080, -0.3570),
    (1, 5, 3, 3, 6, 0.0000, 0.1880, 0.4360),
    (1, 5, 3, 3, 7, 0.0000, 0.1770, -0.4120),
    (1, 6, 3, 3, 6, 0.2690, 0.4370, 0.0000),
    (1, 6, 3, 3, 7, -0.4950, 0.7930, -0.3180),
    (1, 6, 3, 37, 37, 0.0000, 1.7430, 0.0000),
    (1, 7, 3, 3, 7, -0.2600, 1.0840, 0.1930),
    (1, 7, 3, 37, 37, 0.0000, 2.2560, 0.0000),
    (1, 43, 3, 37, 37, -0.2410, 3.3850, -0.8380),
    (2, 0, 1, 2, 0, 0.0000, 0.0000, 0.0000),
    (2, 0, 1, 3, 0, 0.0000, 0.5000, 0.3500),
    (2, 0, 1, 54, 0, 0.0000, 0.0000, 0.0000),
    (2, 0, 2, 6, 0, 0.0000, 3.6000, 0.0000),
    (2, 0, 2, 10, 0, 0.0000, 6.0000, 0.0000),
    (2, 0, 2, 15, 0, 0.0000, 1.4230, 0.0000),
    (2, 0, 2, 18, 0, 0.0000, 0.0000, 0.0000),
    (2, 0, 2, 20, 0, 0.0000, 0.0000, 0.0000),
    (2, 0, 2, 22, 0, 0.0000, 0.0000, 0.0000),
    (2, 0, 2, 34, 0, 0.0000, 0.0000, 0.0000),
    (2, 0, 2, 40, 0, 0.0000, 3.6000, 0.0000),
    (2, 0, 2, 41, 0, 0.0000, 1.8000, 0.0000),
    (2, 0, 2, 43, 0, 0.0000, 3.6000, 0.0000),
    (2, 0, 2, 45, 0, 0.0000, 1.8000, 0.0000),
    (2, 0, 2, 46, 0, 0.0000, 1.8000, 0.0000),
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    (2, 0, 40, 54, 0, 0.0000, 3.6000, 0.0000),
    (2, 0, 55, 57, 0, 0.0000, 4.8000, 0.0000),
    (2, 2, 3, 6, 24, 0.2560, 4.5190, 0.2580),
    (2, 2, 3, 10, 28, -0.2870, 7.1420, 0.1200),
    (2, 3, 3, 6, 24, 1.6630, 4.0730, 0.0940),
    (2, 5, 1, 2, 2, 0.0000, 0.0000, 0.0550),
    (2, 5, 1, 2, 3, 0.0000, 0.0000, -0.1080),
    (2, 5, 1, 2, 37, 0.0000, 0.0000, 0.0000),
    (2, 5, 1, 3, 2, 0.0000, 0.0000, 0.1150),
    (2, 5, 1, 3, 3, 0.0000, 0.0000, 0.4460),
    (2, 5, 1, 3, 37, 0.0000, 0.0000, 0.0560),
    (2, 37, 3, 6, 24, 0.0000, 3.8920, -0.0940),
    (2, 37, 3, 43, 18, -0.7010, 4.8710, 1.2250),
    (2, 37, 3, 43, 28, -0.0860, 5.0730, 0.8780),
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    (4, 0, 3, 6, 0, 0.0000, 3.6000, 0.0000),
    (4, 0, 3, 10, 0, 0.0000, 6.0000, 0.0000),
    (4, 0, 3, 15, 0, 0.0000, 1.4230, 0.0000),
    (4, 0, 3, 20, 0, 0.0000, 0.0000, -0.3000),
    (4, 0, 3, 22, 0, 0.0000, 0.0000, 0.0000),
    (4, 0, 3, 30, 0, 0.0000, 1.8000, 0.0000),
    (4, 0, 3, 37, 0, 0.0000, 1.8000, 0.0000),
    (4, 0, 3, 43, 0, 0.0000, 3.6000, 0.0000),
    (4, 0, 6, 20, 0, 0.0000, 0.0000, 0.2170),
    (4, 0, 8, 10, 0, 0.0000, 0.0000, 0.0000),
    (4, 0, 8, 17, 0, 0.0000, 1.4230, 0.0000),
    (4, 0, 8, 20, 0, 0.0000, 0.0000, 0.3000),
    (4, 0, 10, 20, 0, 0.0000, 0.0000, 0.0000),
    (4, 0, 15, 20, 0, 0.0000, 0.0000, 0.3360),
    (4, 0, 15, 25, 0, 0.0000, 0.0000, 0.3580),
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    (4, 0, 18, 20, 0, 0.0000, 0.0000, 0.1120),
    (4, 0, 18, 43, 0, 0.0000, 0.0000, 0.1410),
    (4, 0, 19, 20, 0, 0.0000, 0.0000, 0.1790),
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    (4, 0, 20, 22, 0, 0.0000, 0.0000, 0.2360),
    (4, 0, 20, 25, 0, 0.0000, 0.0000, 0.2510),
    (4, 0, 20, 26, 0, 0.0000, 0.0000, 0.3760),
    (4, 0, 20, 30, 0, 0.0000, 0.0000, 0.0000),
    (4, 0, 20, 34, 0, 0.0000, 0.0000, 0.1980),
    (4, 0, 20, 37, 0, 0.0000, 0.0000, 0.0000),
    (4, 0, 20, 43, 0, 0.0000, 0.0000, 0.2970),
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    (4, 0, 30, 30, 0, 0.0000, 1.8000, 0.0000),
    (4, 0, 37, 37, 0, 0.0000, 6.0000, 0.0000),
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    (4, 8, 20, 20, 20, 0.0000, -0.0910, 0.1920),
    (4, 20, 6, 20, 20, 0.0000, 0.0000, 0.0000),
    (4, 20, 8, 20, 20, 0.0000, -0.0970, 0.2000),
    (4, 20, 20, 20, 20, 0.0000, 0.0000, 0.0000),
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    (5, 0, 1, 2, 2, 0.0000, 0.0000, -0.6500),
    (5, 0, 1, 3, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 1, 6, 0, 0.0000, -0.2000, 0.4000),
    (5, 0, 1, 8, 0, 0.0000, 0.0000, 0.2970),
    (5, 0, 1, 9, 0, 0.0000, 0.0000, 0.0000),
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    (5, 0, 1, 26, 0, 0.0000, 0.0000, 0.3760),
    (5, 0, 1, 34, 0, 0.0000, 0.0000, 0.1980),
    (5, 0, 1, 37, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 1, 39, 0, 0.0000, 0.0000, 0.0000),
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    (5, 0, 3, 43, 0, 0.0000, 3.6000, 0.0000),
    (5, 0, 3, 54, 0, 0.0000, 12.0000, 0.0000),
    (5, 0, 3, 62, 0, 0.0000, 3.6000, 0.0000),
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    (5, 0, 6, 8, 0, 0.0000, 0.0000, 0.2740),
    (5, 0, 6, 9, 0, 0.0000, 3.6000, 0.0000),
    (5, 0, 6, 17, 0, 0.0000, 1.4230, 0.0000),
    (5, 0, 6, 18, 0, 0.0000, 0.0000, 0.1030),
    (5, 0, 6, 19, 0, 0.0000, 0.0000, 0.1650),
    (5, 0, 6, 20, 0, 0.0000, 0.0000, 0.2170),
    (5, 0, 6, 25, 0, 0.0000, 0.0000, 0.2310),
    (5, 0, 6, 37, 0, 0.0000, 3.6000, 0.0000),
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    (5, 0, 8, 9, 0, 0.0000, 3.6000, 0.0000),
    (5, 0, 8, 17, 0, 0.0000, 1.4230, 0.0000),
    (5, 0, 8, 20, 0, 0.0000, 0.0000, 0.2970),
    (5, 0, 8, 25, 0, 0.0000, 0.0000, 0.3160),
    (5, 0, 8, 26, 0, 0.0000, 0.0000, 0.4740),
    (5, 0, 9, 9, 0, 0.0000, 12.0000, 0.0000),
    (5, 0, 9, 10, 0, 0.0000, 6.0000, 0.0000),
    (5, 0, 9, 34, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 10, 10, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 10, 20, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 10, 26, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 10, 40, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 15, 15, 0, 0.0000, -8.0000, 0.0000),
    (5, 0, 15, 19, 0, 0.0000, 0.0000, 0.2550),
    (5, 0, 15, 37, 0, 0.0000, 1.4230, 0.0000),
    (5, 0, 17, 20, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 18, 20, 0, 0.0000, 0.0000, 0.1120),
    (5, 0, 18, 43, 0, 0.0000, 0.0000, 0.1410),
    (5, 0, 20, 20, 0, 0.0000, 0.0000, 0.2360),
    (5, 0, 20, 26, 0, 0.0000, 0.0000, 0.3760),
    (5, 0, 22, 22, 0, 0.0000, 0.0000, 0.2360),
    (5, 0, 22, 43, 0, 0.0000, 0.0000, 0.2970),
    (5, 0, 25, 37, 0, 0.0000, 0.0000, 0.0000),
    (5, 0, 25, 40, 0, 0.0000, 0.0000, 0.3160),
    (5, 0, 26, 26, 0, 0.0000, 0.0000, 0.6000),
    (5, 0, 26, 34, 0, 0.0000, 0.0000, 0.3160),
    (5, 0, 37, 37, 0, 0.0000, 6.0000, 0.0000),
    (5, 0, 37, 40, 0, 0.0000, 3.6000, 0.0000),
    (5, 0, 37, 43, 0, 0.0000, 3.6000, 0.0000),
    (5, 0, 39, 63, 0, 0.0000, 3.6000, 0.0000),
    (5, 0, 55, 57, 0, 0.0000, 4.8000, 0.0000),
    (5, 0, 64, 81, 0, 0.0000, 6.0000, 0.0000),
    (5, 0, 67, 67, 0, 0.0000, 12.0000, 0.0000),
    (5, 1, 1, 1, 1, 0.1440, -0.5470, 1.1260),
    (5, 1, 1, 1, 6, 0.0000, 0.0000, 0.0540),
    (5, 1, 1, 1, 8, 0.0000, -0.1580, 0.3230),
    (5, 1, 1, 6, 1, 0.0000, 0.2430, -0.5960),
    (5, 1, 1, 8, 1, 0.1150, -0.3900, 0.6580),
    (5, 6, 1, 1, 6, 0.3130, -1.0350, 1.6310),
    (5, 6, 1, 6, 1, 0.0000, 0.0000, 0.0400),
];

/// Look up torsion parameters by MMFF94 numeric atom types.
///
/// Implements MMFF94's fallback hierarchy:
/// 1. Exact match
/// 2. Reversed (tl,tk,tj,ti)
/// 3. Wildcard first atom (0,tj,tk,tl) then wildcard last atom (ti,tj,tk,0)
/// 4. Both wildcards (0,tj,tk,0), then tors_type-generic (0,0,tj,tk,0)
pub fn mmff94_torsion_energy(
    tors_type: u8,
    type_i: u8,
    type_j: u8,
    type_k: u8,
    type_l: u8,
) -> Option<TorsionEnergyParams> {
    let search = |tt: u8, a: u8, b: u8, c: u8, d: u8| -> Option<TorsionEnergyParams> {
        MMFF94_TORSION_ENERGY
            .binary_search_by_key(&(tt, a, b, c, d), |&(t0, t1, t2, t3, t4, _, _, _)| {
                (t0, t1, t2, t3, t4)
            })
            .ok()
            .map(|idx| {
                let (_, _, _, _, _, v1, v2, v3) = MMFF94_TORSION_ENERGY[idx];
                TorsionEnergyParams { v1, v2, v3 }
            })
    };
    let (ti, tj, tk, tl) = (type_i, type_j, type_k, type_l);
    let (ri, rj, rk, rl) = (type_l, type_k, type_j, type_i);
    // 1 & 2: exact + reverse
    search(tors_type, ti, tj, tk, tl)
        .or_else(|| search(tors_type, ri, rj, rk, rl))
        // 3: wildcard ends
        .or_else(|| search(tors_type, 0, tj, tk, tl))
        .or_else(|| search(tors_type, 0, rj, rk, rl))
        .or_else(|| search(tors_type, ti, tj, tk, 0))
        .or_else(|| search(tors_type, ri, rj, rk, 0))
        // 4: both wildcards
        .or_else(|| search(tors_type, 0, tj, tk, 0))
        .or_else(|| search(tors_type, 0, rj, rk, 0))
        // 5: tors_type-generic (type 0)
        .or_else(|| {
            if tors_type != 0 {
                search(0, 0, tj, tk, 0).or_else(|| search(0, 0, rj, rk, 0))
            } else {
                None
            }
        })
}