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cleaning
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rvhonorato committed Nov 21, 2024
1 parent 0798d46 commit e6781f1
Showing 1 changed file with 0 additions and 17 deletions.
17 changes: 0 additions & 17 deletions src/main.rs
Original file line number Diff line number Diff line change
Expand Up @@ -241,23 +241,6 @@ fn unambig_ti(input_file: &str, cutoff: &f64) -> Result<String, Box<dyn Error>>
interactors.push(interactor_j);
});

// for (n, pair) in interface_pairs.iter().enumerate() {
// let mut interactor_i = Interactor::new(n as u16);
//
// interactor_i.set_chain(&pair.chain_i.to_string());
// interactor_i.set_active(vec![pair.res_i as i16]);
// interactor_i.set_active_atoms(vec![pair.atom_i.clone()]);
// interactor_i.add_target(n as u16 + 1);
// interactor_i.set_target_distance(pair.distance);
//
// // // interactor_j.set_passive(vec![pair.res_j as i16]);
// // interactor_j.set_passive_atoms(vec![pair.atom_j.clone()]);
// // interactor_j.add_target(n as u16);
//
// interactors.push(interactor_i);
// // interactors.push(interactor_j);
// }
//
// Make the restraints
let air = Air::new(interactors);
let tbl = air.gen_tbl().unwrap();
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