pub struct FfAngle {
pub type_i: String,
pub type_j: String,
pub type_k: String,
pub force_constant: f64,
pub eq_angle_deg: f64,
}Expand description
An angle parameter entry.
Fields§
§type_i: StringAtom types i-j-k.
type_j: StringCentral atom type.
type_k: StringThird atom type.
force_constant: f64Force constant (kcal mol⁻¹ rad⁻²).
eq_angle_deg: f64Equilibrium angle (degrees).
Trait Implementations§
Auto Trait Implementations§
impl Freeze for FfAngle
impl RefUnwindSafe for FfAngle
impl Send for FfAngle
impl Sync for FfAngle
impl Unpin for FfAngle
impl UnsafeUnpin for FfAngle
impl UnwindSafe for FfAngle
Blanket Implementations§
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T: ?Sized,
impl<T> BorrowMut<T> for Twhere
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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<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.