Geom.Gen2D.Place

Definitions

prioritize : IGraph k e n -> IArray k Nat

Totality: total
Visibility: export

placeChain : DebugFlag => Cast n Elem => Cast n Hybridization => IGraph k e n -> PlaceST s k => Fin k -> List (Fin k) -> MolVector -> F1' s

  Places the atoms in a linear chain.
  
  Expects the first atom to be placed and
  places the next atom according to initialBondVector. The rest of the chain
  is placed such that it is as linear as possible (in the overall result, the
  angles in the chain are set to 120 Deg.)
  TODO: Double bond configuration

Totality: total
Visibility: export

polygonCorners : DebugFlag => Cast n Elem => Cast n Hybridization => IGraph k e n -> PlaceST s k => List (Fin k) -> MolPoint -> Angle -> Angle -> MolVector -> F1' s

Totality: total
Visibility: export

distributeAtoms : DebugFlag => Cast n Elem => Cast n Hybridization => IGraph k e n -> PlaceST s k => Fin k -> List (Fin k) -> List (Fin k) -> F1' s

Totality: total
Visibility: export

placeNeighbours : DebugFlag => Cast n Elem => Cast n Hybridization => IGraph k e n -> PlaceST s k => Fin k -> F1 s (List (Fin k))

Totality: total
Visibility: export

placeAtom : DebugFlag => Cast n Elem => Cast n Hybridization => IGraph k e n -> PlaceST s k => Fin k -> F1' s

  Convenience method to place a single atom. This function will first find
  a placed neighbour does not need to be set) and then place this
  new atoms considering the neighbour's neighbours. Essentially this
  utility is useful for sprouting a new atom to an already placed
  structure.

Totality: total
Visibility: export