Struct EcfpConfig 

pub struct EcfpConfig {
    pub radius: u32,
    pub nbits: usize,
    pub use_chirality: bool,
    pub use_double_fold: bool,
}

Configuration for ECFP computation.

Fields

radius: u32

Number of iterations (radius). ECFP4 = 2, ECFP6 = 3.

nbits: usize

Output bitvector size (default 2048).

use_chirality: bool

When true, include tetrahedral chirality in the initial atom hash so that R and S enantiomers produce different fingerprints.

Defaults to false (chirality ignored, matching RDKit’s useChirality=False).

use_double_fold: bool

When true, each hash sets two bit positions (using single and double-folded hash) to reduce bitvector collisions. This reduces collision probability but changes fingerprint values — not backwards-compatible with stored fingerprints.

Defaults to false (single-bit folding, current behavior preserved).

Trait Implementations

impl Clone for EcfpConfig

fn clone(&self) -> EcfpConfig

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for EcfpConfig

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for EcfpConfig

fn default() -> Self

Returns the “default value” for a type.