Bond

Bond[{idi,idj}]

represents a single chemical bond between atoms with indices idi and idj.

Bond[{idi,idj},type]

represents a chemical bond of the specified type.

Details

  • Possible values for type include:
  • type can be one of "Single", "Double", "Triple" or "Aromatic".
  • In MoleculePattern, it can also be a pattern, such as _ (representing any possible bond type).

Examples

Basic Examples  (3)

Build a molecule with single and double bonds:

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Leave out the bond order when creating a molecule:

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The bonds are canonicalized by Molecule:

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Use a bond as a pattern:

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Introduced in 2019
(12.0)