Struct MapNumberInfo 

pub struct MapNumberInfo {
    pub all_map_numbers: HashSet<u16>,
    pub reactant_maps: HashSet<u16>,
    pub agent_maps: HashSet<u16>,
    pub product_maps: HashSet<u16>,
}

Information about atom map numbers in a reaction SMARTS pattern.

Fields

all_map_numbers: HashSet<u16>

All unique map numbers found in the pattern.

reactant_maps: HashSet<u16>

Map numbers found in reactants.

agent_maps: HashSet<u16>

Map numbers found in agents.

product_maps: HashSet<u16>

Map numbers found in products.

Implementations

impl MapNumberInfo

pub fn validate(&self) -> Result<(), String>

Check if all map numbers are consistent across reactants and products.

Trait Implementations

impl Clone for MapNumberInfo

fn clone(&self) -> MapNumberInfo

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for MapNumberInfo

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

Formats the value using the given formatter.