Module

MolDraw.GeometryAtom

Package
purescript-mol-draw
Repository
lukasturcani/molDraw

Defines the GeometryAtom type.

A GeometryAtom is an atom in the context of a molecule, meaning that unlike Atom, it has an id.

#GeometryAtom Source

data GeometryAtom

Represents atoms in molecules.

Instances

#AtomId Source

type AtomId = Int

The id of an atom.

#id Source

id :: GeometryAtom -> AtomId

Get the id of a GeometryAtom.

#position Source

position :: GeometryAtom -> Position

Get the position of a GeometryAtom.

#chemicalSymbol Source

chemicalSymbol :: GeometryAtom -> ChemicalSymbol

Get the chemical symbol of a GeometryAtom.

#atom Source

atom :: ChemicalSymbol -> Position -> AtomId -> GeometryAtom

Create a GeometryAtom.

#fromAtom Source

fromAtom :: Atom -> AtomId -> GeometryAtom

Create a GeometryAtom from an Atom.

Modules
MolDraw
MolDraw.Atom
MolDraw.Bond
MolDraw.BondSegment
MolDraw.ChemicalSymbol
MolDraw.DrawMol
MolDraw.DrawMol.Mesh
MolDraw.DrawMol.Scene
MolDraw.GeometryAtom
MolDraw.GeometryData
MolDraw.Parsers.ChemicalSymbol
MolDraw.Parsers.V3000
MolDraw.Position
MolDraw.Utils
MolDraw.Utils.ElementColors
MolDraw.Utils.ElementSizes