Example Programs: CANSMI

What it does:

Generates unique SMILES. Takes SMILES strings on input, makes an object, generates unique SMILES and prints them on output.

What it illustrates:

• As the prototypical toolkit program, it shows the polymorphism at work.
  • dt_smilin() returns either a reaction or molecule object for the given SMILES string.
  • dt_cansmiles() accepts either a reaction or molecule object.

• Don't assume object types. If absolutely necessary, check them, but otherwise, think in terms of reactions and molecules being the same object.