Function getPathAndTorsion

  • Calculates the path between 2 atoms

    Parameters

    • molecule: Molecule
    • from: number

      index of the first atom

    • to: number

      index of the end atom

    • maxLength: number

      maximal length of the path

    Returns {
        atoms: any[];
        from: number;
        length: number;
        to: number;
        torsion: undefined | number;
    }

    • atoms: any[]
    • from: number
    • length: number
    • to: number
    • torsion: undefined | number