Struct ReactionPatternLibrary 

pub struct ReactionPatternLibrary {
    pub patterns: HashMap<String, ReactionSmartsPattern>,
}

Pattern library for fast reaction querying against multiple patterns

Fields

patterns: HashMap<String, ReactionSmartsPattern>

Named reaction patterns

Implementations

impl ReactionPatternLibrary

pub fn new() -> Self

Create a new empty pattern library

pub fn add_pattern(&mut self, name: String, pattern: ReactionSmartsPattern)

Add a named pattern to the library

pub fn add_pattern_from_smarts( &mut self, name: String, smarts: &str, ) -> Result<(), ReactionQueryError>

Add a pattern from SMARTS string

pub fn len(&self) -> usize

Get number of patterns in library

pub fn is_empty(&self) -> bool

Check if library is empty

pub fn get(&self, name: &str) -> Option<&ReactionSmartsPattern>

Get pattern by name

pub fn pattern_names(&self) -> Vec<String>

List all pattern names

Trait Implementations

impl Clone for ReactionPatternLibrary

fn clone(&self) -> ReactionPatternLibrary

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ReactionPatternLibrary

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

Formats the value using the given formatter.

impl Default for ReactionPatternLibrary

fn default() -> Self

Returns the “default value” for a type.