Struct MolMetadata 

pub struct MolMetadata {
    pub name: String,
    pub comment: String,
}

Metadata extracted from the three-line MOL header.

Fields

name: String

Molecule name from header line 1.

comment: String

Comment string from header line 3.

Implementations

impl MolMetadata

pub fn with_name(self, name: &str) -> Self

Set the molecule name and return self (builder style).

pub fn with_comment(self, comment: &str) -> Self

Set the comment and return self (builder style).

Trait Implementations

impl Clone for MolMetadata

fn clone(&self) -> MolMetadata

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for MolMetadata

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

Formats the value using the given formatter.

impl Default for MolMetadata

fn default() -> MolMetadata

Returns the “default value” for a type.

impl Eq for MolMetadata

impl PartialEq for MolMetadata

fn eq(&self, other: &MolMetadata) -> 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 StructuralPartialEq for MolMetadata