Struct lumol::BondDistances

pub struct BondDistances { /* fields omitted */ }

The BondDistances bitflag encode the topological distance between two particles in the molecule, i.e. the number of bonds between the particles. Two particles can have multiple bond path lionking them (in the case of cyclic molecules), which is why a bit flag is used instead of a single distance value.

Implementations

impl BondDistances

pub const ONE: BondDistances

The particles are separated by one bond

pub const TWO: BondDistances

The particles are separated by two bonds

pub const THREE: BondDistances

The particles are separated by three bonds

pub const FAR: BondDistances

The particles are separated by more than three bonds

pub const fn empty() -> BondDistances

Returns an empty set of flags

pub const fn all() -> BondDistances

Returns the set containing all flags.

pub const fn bits(&self) -> u8

Returns the raw value of the flags currently stored.

pub fn from_bits(bits: u8) -> Option<BondDistances>

Convert from underlying bit representation, unless that representation contains bits that do not correspond to a flag.

pub const fn from_bits_truncate(bits: u8) -> BondDistances

Convert from underlying bit representation, dropping any bits that do not correspond to flags.

pub const unsafe fn from_bits_unchecked(bits: u8) -> BondDistances

Convert from underlying bit representation, preserving all bits (even those not corresponding to a defined flag).

pub const fn is_empty(&self) -> bool

Returns true if no flags are currently stored.

pub const fn is_all(&self) -> bool

Returns true if all flags are currently set.

pub const fn intersects(&self, other: BondDistances) -> bool

Returns true if there are flags common to both self and other.

pub const fn contains(&self, other: BondDistances) -> bool

Returns true all of the flags in other are contained within self.

pub fn insert(&mut self, other: BondDistances)

Inserts the specified flags in-place.

pub fn remove(&mut self, other: BondDistances)

Removes the specified flags in-place.

pub fn toggle(&mut self, other: BondDistances)

Toggles the specified flags in-place.

pub fn set(&mut self, other: BondDistances, value: bool)

Inserts or removes the specified flags depending on the passed value.

Trait Implementations

impl Binary for BondDistances

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

Formats the value using the given formatter.

impl BitAnd<BondDistances> for BondDistances

type Output = BondDistances

The resulting type after applying the & operator.

pub fn bitand(self, other: BondDistances) -> BondDistances

Returns the intersection between the two sets of flags.

impl BitAndAssign<BondDistances> for BondDistances

pub fn bitand_assign(&mut self, other: BondDistances)

Disables all flags disabled in the set.

impl BitOr<BondDistances> for BondDistances

type Output = BondDistances

The resulting type after applying the | operator.

pub fn bitor(self, other: BondDistances) -> BondDistances

Returns the union of the two sets of flags.

impl BitOrAssign<BondDistances> for BondDistances

pub fn bitor_assign(&mut self, other: BondDistances)

Adds the set of flags.

impl BitXor<BondDistances> for BondDistances

type Output = BondDistances

The resulting type after applying the ^ operator.

pub fn bitxor(self, other: BondDistances) -> BondDistances

Returns the left flags, but with all the right flags toggled.

impl BitXorAssign<BondDistances> for BondDistances

pub fn bitxor_assign(&mut self, other: BondDistances)

Toggles the set of flags.

impl Clone for BondDistances

pub fn clone(&self) -> BondDistances

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Copy for BondDistances

impl Debug for BondDistances

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

Formats the value using the given formatter.

impl Default for BondDistances

pub fn default() -> BondDistances

Returns the "default value" for a type.

impl Eq for BondDistances

impl Extend<BondDistances> for BondDistances

pub fn extend<T>(&mut self, iterator: T) where
    T: IntoIterator<Item = BondDistances>, 

Extends a collection with the contents of an iterator.

fn extend_one(&mut self, item: A)

🔬 This is a nightly-only experimental API. (extend_one)

Extends a collection with exactly one element.

fn extend_reserve(&mut self, additional: usize)

🔬 This is a nightly-only experimental API. (extend_one)

Reserves capacity in a collection for the given number of additional elements.

impl FromIterator<BondDistances> for BondDistances

pub fn from_iter<T>(iterator: T) -> BondDistances where
    T: IntoIterator<Item = BondDistances>, 

Creates a value from an iterator.

impl Hash for BondDistances

pub fn hash<__H>(&self, state: &mut __H) where
    __H: Hasher, 

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H) where
    H: Hasher, 

Feeds a slice of this type into the given Hasher.

impl LowerHex for BondDistances

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

Formats the value using the given formatter.

impl Not for BondDistances

type Output = BondDistances

The resulting type after applying the ! operator.

pub fn not(self) -> BondDistances

Returns the complement of this set of flags.

impl Octal for BondDistances

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

Formats the value using the given formatter.

impl Ord for BondDistances

pub fn cmp(&self, other: &BondDistances) -> Ordering

This method returns an Ordering between self and other.

#[must_use]fn max(self, other: Self) -> Self

Compares and returns the maximum of two values.

#[must_use]fn min(self, other: Self) -> Self

Compares and returns the minimum of two values.

#[must_use]fn clamp(self, min: Self, max: Self) -> Self

🔬 This is a nightly-only experimental API. (clamp)

Restrict a value to a certain interval.

impl PartialEq<BondDistances> for BondDistances

pub fn eq(&self, other: &BondDistances) -> bool

This method tests for self and other values to be equal, and is used by ==.

pub fn ne(&self, other: &BondDistances) -> bool

This method tests for !=.

impl PartialOrd<BondDistances> for BondDistances

pub fn partial_cmp(&self, other: &BondDistances) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

pub fn lt(&self, other: &BondDistances) -> bool

This method tests less than (for self and other) and is used by the < operator.

pub fn le(&self, other: &BondDistances) -> bool

This method tests less than or equal to (for self and other) and is used by the <= operator.

pub fn gt(&self, other: &BondDistances) -> bool

This method tests greater than (for self and other) and is used by the > operator.

pub fn ge(&self, other: &BondDistances) -> bool

This method tests greater than or equal to (for self and other) and is used by the >= operator.

impl StructuralEq for BondDistances

impl StructuralPartialEq for BondDistances

impl Sub<BondDistances> for BondDistances

type Output = BondDistances

The resulting type after applying the - operator.

pub fn sub(self, other: BondDistances) -> BondDistances

Returns the set difference of the two sets of flags.

impl SubAssign<BondDistances> for BondDistances

pub fn sub_assign(&mut self, other: BondDistances)

Disables all flags enabled in the set.

impl UpperHex for BondDistances

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

Formats the value using the given formatter.