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use serde::{Serialize, Deserialize};
pub type Input = chiral_common::SMARTS;
pub type MatchResult = Vec<Vec<i32>>;
#[derive(PartialEq, Debug, Serialize, Deserialize, Clone)]
pub struct Output {
pub results: Vec<(MatchResult, chiral_common::DatasetID)>
}
impl chiral_common::OperatorOutput for Output {
fn blank() -> Self { Self { results: vec![] } }
fn len(&self) -> usize { self.results.len() }
fn clear(&mut self) {
self.results.clear();
}
fn serialize(&self) -> String { serde_json::to_string(self).unwrap() }
fn deserialize(content: &String) -> Self { serde_json::from_str(content).unwrap() }
}
#[derive(Debug, PartialEq, Serialize, Deserialize)]
pub struct Report {
pub input: Input,
pub dsk: chiral_common::kinds::Dataset,
pub output: Output
}
impl chiral_common::OperatorReport for Report {
fn serialize(&self) -> String { serde_json::to_string(self).unwrap() }
fn deserialize(content: &String) -> Self { serde_json::from_str(content).unwrap() }
fn extend(&mut self, other: Self) {
self.output.results.extend(other.output.results);
}
fn print(&self) {
println!(" Report of OpenBabel Substructure Search\n");
println!(" Input");
println!("\t smiles: {}", self.input);
println!(" Operator");
println!(" Dataset");
println!("\t kind: {}", self.dsk);
println!(" Output");
for (matches, id) in self.output.results.iter() {
println!("\t {id}\t {matches:?}");
}
println!("\t Count: {}", self.output.results.len());
}
}