Function getConnectivityMatrix

Parameters

• molecule: Molecule

• Optional options: {
      atomicNo: undefined | boolean;
      mass: undefined | boolean;
      negativeAtomicNo: undefined | boolean;
      pathLength: undefined | boolean;
      sdt: undefined | boolean;
      sdta: undefined | boolean;
  } = {}

  • atomicNo: undefined | boolean

    set the atomic number of the atom on diagonal

  • mass: undefined | boolean

    set the nominal mass of the atoms on diagonal

  • negativeAtomicNo: undefined | boolean

    set the atomic number * -1 of the atom on diagonal

  • pathLength: undefined | boolean

    get the path length between atoms

  • sdt: undefined | boolean

    set 1, 2 or 3 depending if single, double or triple bond

  • sdta: undefined | boolean

    set 1, 2, 3 or 4 depending if single, double, triple or aromatic bond