isRotatableBond : Cast e Elem => Cast b BondOrder => EdgeSet k -> Bool -> Bool -> IGraph k b (Atom e c p r h t ch l) -> Edge k b -> BoolTrue if the given edge counts as a rotatable bond.
A single bond is rotatable, if
* it is not connected to a hydrogen atom
* it is not a ring bond
* the atoms it connects are not attached to triple bonds
* it does not connect a terminal non-H atom (unless `includeTerminals`
is set to `True`)
* it is an amide bond and `excludeAmides` is set to `True`
rotatableBondCount : Cast e Elem => Cast b BondOrder => EdgeSet k -> Bool -> Bool -> IGraph k b (Atom e c p r h t ch l) -> NatReturns the number of rotatable bonds in a molecule.
See also `isRotatableBond` about what counts as a rotatable bond.