Struct Thresholds

pub struct Thresholds {
    pub hydrogen: f32,
    pub van_der_waals: f32,
    pub ionic: f32,
    pub pi_pi: f32,
    pub pi_cation: f32,
    pub disulphide: f32,
}

Distance thresholds (maximum) between atoms.

Fields

hydrogen: f32

Hydrogen bonds.

van_der_waals: f32

Van der Waals-forces

ionic: f32

Ionic interactions, salt bridges

pi_pi: f32

Pi-Pi stacking

pi_cation: f32

Pi-cation interactions

disulphide: f32

Disulphide bonds

Implementations

impl Thresholds

pub fn strict() -> Self

Thresholds suitable for generating a reliable network.

pub fn relaxed() -> Self

Thresholds suitable for generating an inclusive network.

Trait Implementations

impl Clone for Thresholds

fn clone(&self) -> Thresholds

Returns a copy of the value.

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

Performs copy-assignment from source.

impl Debug for Thresholds

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

Formats the value using the given formatter.

impl Default for Thresholds

fn default() -> Self

The default is strict.

impl<'de> Deserialize<'de> for Thresholds

where Thresholds: Default,

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for Thresholds

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

Tests for self and other values to be equal, and is used by ==.

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

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl Serialize for Thresholds

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Copy for Thresholds

impl StructuralPartialEq for Thresholds