Examples with MappedChain algorithms.isomorphism.chains.MappedChain used on opensource projects

Example 11 with MappedChain

use of algorithms.isomorphism.chains.MappedChain in project Smiles2Monomers by yoann-dufresne.

the class Isomorphism method searchAChainRecur.

/**/
/**
 * Search a bloc in a chemical object
 * @param chain Searched bloc
 * @param co Chemical object
 * @return All mappings of bloc on co.
 */
public static List<MappedChain> searchAChainRecur(Chain chain, ChemicalObject co, MatchingType type) {
    if (Isomorphism.mappings.containsKey(chain))
        return Isomorphism.mappings.get(chain);
    List<MappedChain> mbs;
    List<MappedChain> newMbs = new ArrayList<>();
    if (chain.getSize() == 1) {
        mbs = new ArrayList<>();
        mbs.add(new MappedChain(co));
    } else {
        mbs = searchAChainRecur(chain.getSubBlc(), co, type);
    }
    for (MappedChain mb : mbs) {
        List<MappedChain> newMbsFromOne = searchFromPreviousMapping(mb, chain.getExt(), chain.getPosition1(), chain.getPosition2(), type);
        // Filter equals mappings
        for (MappedChain mc : newMbsFromOne) if (!newMbs.contains(mc))
            newMbs.add(mc);
    }
    if (Isomorphism.storeMappings)
        Isomorphism.mappings.put(chain, newMbs);
    return newMbs;
}