pub struct ReactivityRanking {
pub nucleophilic_attack_sites: Vec<ReactivitySiteScore>,
pub electrophilic_attack_sites: Vec<ReactivitySiteScore>,
pub radical_attack_sites: Vec<ReactivitySiteScore>,
pub notes: Vec<String>,
}Expand description
Empirical local-reactivity ranking summary.
Fields§
§nucleophilic_attack_sites: Vec<ReactivitySiteScore>Ranked candidate sites for nucleophilic attack on the molecule.
electrophilic_attack_sites: Vec<ReactivitySiteScore>Ranked candidate sites for electrophilic attack on the molecule.
radical_attack_sites: Vec<ReactivitySiteScore>Ranked candidate sites for radical attack on the molecule.
notes: Vec<String>Notes about how scores are constructed.
Trait Implementations§
Source§impl Clone for ReactivityRanking
impl Clone for ReactivityRanking
Source§fn clone(&self) -> ReactivityRanking
fn clone(&self) -> ReactivityRanking
Returns a duplicate of the value. Read more
1.0.0 · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source. Read moreSource§impl Debug for ReactivityRanking
impl Debug for ReactivityRanking
Source§impl<'de> Deserialize<'de> for ReactivityRanking
impl<'de> Deserialize<'de> for ReactivityRanking
Source§fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
Deserialize this value from the given Serde deserializer. Read more
Auto Trait Implementations§
impl Freeze for ReactivityRanking
impl RefUnwindSafe for ReactivityRanking
impl Send for ReactivityRanking
impl Sync for ReactivityRanking
impl Unpin for ReactivityRanking
impl UnsafeUnpin for ReactivityRanking
impl UnwindSafe for ReactivityRanking
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self>
fn into_either(self, into_left: bool) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§impl<T> Pointable for T
impl<T> Pointable for T
Source§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
Source§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read moreSource§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self is actually part of its subset T (and can be converted to it).Source§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.Source§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.