pub struct ConformerClusterSummary {
pub cluster_id: usize,
pub representative_seed: u64,
pub size: usize,
pub member_seeds: Vec<u64>,
}Expand description
One RMSD-based cluster summary in a conformer-search ensemble.
Fields§
§cluster_id: usizeCluster identifier.
representative_seed: u64Seed of the representative (lowest-energy) conformer in this cluster.
size: usizeNumber of conformers assigned to this cluster.
member_seeds: Vec<u64>Seeds of all conformers assigned to this cluster.
Trait Implementations§
Source§impl Clone for ConformerClusterSummary
impl Clone for ConformerClusterSummary
Source§fn clone(&self) -> ConformerClusterSummary
fn clone(&self) -> ConformerClusterSummary
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 ConformerClusterSummary
impl Debug for ConformerClusterSummary
Source§impl<'de> Deserialize<'de> for ConformerClusterSummary
impl<'de> Deserialize<'de> for ConformerClusterSummary
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 ConformerClusterSummary
impl RefUnwindSafe for ConformerClusterSummary
impl Send for ConformerClusterSummary
impl Sync for ConformerClusterSummary
impl Unpin for ConformerClusterSummary
impl UnsafeUnpin for ConformerClusterSummary
impl UnwindSafe for ConformerClusterSummary
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.