Struct LipinskiResult 

pub struct LipinskiResult {
    pub mw_ok: bool,
    pub logp_ok: bool,
    pub hbd_ok: bool,
    pub hba_ok: bool,
    pub violations: u8,
    pub passes: bool,
}

Lipinski’s rule of five analysis.

Fields

mw_ok: bool

Molecular weight ≤ 500.

logp_ok: bool

LogP ≤ 5.

hbd_ok: bool

H-bond donors ≤ 5.

hba_ok: bool

H-bond acceptors ≤ 10.

violations: u8

Number of violations (0–4).

passes: bool

Passes Ro5 (≤ 1 violation).

Trait Implementations

impl Clone for LipinskiResult

fn clone(&self) -> LipinskiResult

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for LipinskiResult

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for LipinskiResult

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for LipinskiResult

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.