Examples with Planarity algorithms.Planarity used on opensource projects

Example 1 with Planarity

use of algorithms.Planarity in project Smiles2Monomers by yoann-dufresne.

the class PlanarityTest method main.

public static void main(String[] args) {
    String pepDBname = "datas/peptides.csv";
    // Loading databases
    PolymersJsonLoader pcl = new PolymersJsonLoader(new MonomersDB());
    PolymersDB pepDB = pcl.loadFile(pepDBname);
    // Tools
    Planarity pt = new Planarity();
    for (Polymer pep : pepDB.getObjects()) {
        System.out.println(pep.getName() + " : ");
        IMolecule mol = null;
        try {
            mol = SmilesConverter.conv.transform(pep.getSmiles());
        } catch (InvalidSmilesException e) {
            System.err.println("Impossible to parse " + pep.getName() + " id:" + pep.getId());
            continue;
        }
        SimpleGraph g = MoleculeGraphs.getMoleculeGraph(mol);
        System.out.println("planar : " + pt.isPlanar(g) + "\n");
    }
}