class MM::AtomType
- MM::AtomType
- Reference
- Object
Defined in:
mm/atom_type.crConstructors
Instance Method Summary
- #<=>(rhs : self) : Int32
- #comment : String | Nil
- #element : Chem::Element
- #lj : LennardJones | Nil
- #lj14 : LennardJones | Nil
- #lj14=(lj14 : LennardJones | Nil)
- #lj=(lj : LennardJones | Nil)
- #mass : Float64
- #matches?(pattern : Chem::Element | String) : Bool
- #name : String
Constructor Detail
def self.new(name : String, element : Chem::Element, mass : Float64 = element.mass, lj : LennardJones | Nil = nil, lj14 : LennardJones | Nil = nil, comment : String | Nil = nil)
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