Class: Chemicalml::Model::AtomParity

Inherits:
Node
  • Object
show all
Defined in:
lib/chemicalml/model/atom_parity.rb

Overview

Atom-centre chirality. CML <atomParity> element with atomRefs4 (four atom IDs in order) and a value (typically "1", "-1", or "0").

Instance Attribute Summary collapse

Instance Method Summary collapse

Methods inherited from Node

#==, #accept, #children, #hash, short_name

Constructor Details

#initialize(atom_refs4:, value:) ⇒ AtomParity

Returns a new instance of AtomParity.



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# File 'lib/chemicalml/model/atom_parity.rb', line 11

def initialize(atom_refs4:, value:)
  @atom_refs4 = atom_refs4
  @value = value
end

Instance Attribute Details

#atom_refs4 ⇒ Object

Returns the value of attribute atom_refs4.



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# File 'lib/chemicalml/model/atom_parity.rb', line 9

def atom_refs4
  @atom_refs4
end

#value ⇒ Object

Returns the value of attribute value.



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# File 'lib/chemicalml/model/atom_parity.rb', line 9

def value
  @value
end

Instance Method Details

#value_attributes ⇒ Object 



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# File 'lib/chemicalml/model/atom_parity.rb', line 16

def value_attributes
  { atom_refs4: atom_refs4, value: value }
end