Function getPathAndTorsion

  • getPathAndTorsion(
        molecule: Molecule,
        from: number,
        to: number,
        maxLength: number,
    ): {
        atoms: any[];
        from: number;
        length: number;
        to: number;
        torsion: undefined | number;
    }

  • 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;
    }

Settings

Member Visibility