pub struct LigandInput {
pub id: String,
pub ccd: Vec<String>,
}Expand description
A small-molecule ligand described by one or more CCD codes.
Fields§
§id: StringLigand identifier.
ccd: Vec<String>Ordered list of CCD codes composing the ligand.
Implementations§
Source§impl LigandInput
impl LigandInput
Sourcepub fn new(id: impl Into<String>, ccd: Vec<String>) -> Self
pub fn new(id: impl Into<String>, ccd: Vec<String>) -> Self
Construct a LigandInput from an explicit list of CCD codes.
Sourcepub fn from_ccd(id: impl Into<String>, ccd: impl Into<String>) -> Self
pub fn from_ccd(id: impl Into<String>, ccd: impl Into<String>) -> Self
Convenience constructor for a single-component ligand.
Sourcepub fn num_components(&self) -> usize
pub fn num_components(&self) -> usize
Number of CCD components in this ligand.
Trait Implementations§
Source§impl Clone for LigandInput
impl Clone for LigandInput
Source§fn clone(&self) -> LigandInput
fn clone(&self) -> LigandInput
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 LigandInput
impl Debug for LigandInput
Source§impl Display for LigandInput
impl Display for LigandInput
Source§impl From<LigandInput> for ChainInput
impl From<LigandInput> for ChainInput
Source§fn from(l: LigandInput) -> Self
fn from(l: LigandInput) -> Self
Converts to this type from the input type.
Auto Trait Implementations§
impl Freeze for LigandInput
impl RefUnwindSafe for LigandInput
impl Send for LigandInput
impl Sync for LigandInput
impl Unpin for LigandInput
impl UnsafeUnpin for LigandInput
impl UnwindSafe for LigandInput
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,
§impl<T> Identity for Twhere
T: ?Sized,
impl<T> Identity for Twhere
T: ?Sized,
§impl<T> Instrument for T
impl<T> Instrument for T
§fn instrument(self, span: Span) -> Instrumented<Self>
fn instrument(self, span: Span) -> Instrumented<Self>
§fn in_current_span(self) -> Instrumented<Self>
fn in_current_span(self) -> Instrumented<Self>
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 more§impl<T> Pointable for T
impl<T> Pointable for T
§impl<T> PolicyExt for Twhere
T: ?Sized,
impl<T> PolicyExt for Twhere
T: ?Sized,
§impl<T> ToCompactString for Twhere
T: Display,
impl<T> ToCompactString for Twhere
T: Display,
§fn try_to_compact_string(&self) -> Result<CompactString, ToCompactStringError>
fn try_to_compact_string(&self) -> Result<CompactString, ToCompactStringError>
Fallible version of [
ToCompactString::to_compact_string()] Read more§fn to_compact_string(&self) -> CompactString
fn to_compact_string(&self) -> CompactString
Converts the given value to a [
CompactString]. Read more