Struct EhtSupport 

pub struct EhtSupport {
    pub level: SupportLevel,
    pub has_transition_metals: bool,
    pub supported_elements: Vec<u8>,
    pub provisional_elements: Vec<u8>,
    pub unsupported_elements: Vec<u8>,
    pub warnings: Vec<String>,
}

Summary of EHT support for a specific element set.

Fields

level: SupportLevel

Overall support level across the full molecule.

has_transition_metals: bool

Whether the element set contains transition metals.

supported_elements: Vec<u8>

Supported, validated elements for the current EHT implementation.

provisional_elements: Vec<u8>

Supported but still provisional / uncalibrated elements.

unsupported_elements: Vec<u8>

Elements with no EHT parameter set.

warnings: Vec<String>

Human-readable warnings for callers that want to surface caveats.

Trait Implementations

impl Clone for EhtSupport

fn clone(&self) -> EhtSupport

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for EhtSupport

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for EhtSupport

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for EhtSupport

fn eq(&self, other: &EhtSupport) -> 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 EhtSupport

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

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Eq for EhtSupport

impl StructuralPartialEq for EhtSupport