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TetrahedralCenter

sci_form::distgeom::validation

Struct TetrahedralCenter

pub struct TetrahedralCenter {
    pub center: usize,
    pub neighbors: [usize; 4],
    pub in_small_ring: bool,
}

Expand description

Tetrahedral center — any sp3 atom with 4 neighbors (not necessarily chiral)

Fields§

§center: usize§neighbors: [usize; 4]§in_small_ring: bool

Auto Trait Implementations§

impl Freeze for TetrahedralCenter

impl RefUnwindSafe for TetrahedralCenter

impl Send for TetrahedralCenter

impl Sync for TetrahedralCenter

impl Unpin for TetrahedralCenter

impl UnsafeUnpin for TetrahedralCenter

impl UnwindSafe for TetrahedralCenter

Blanket Implementations§

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fn is_in_subset(&self) -> bool

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