Class: Chem::MSI::MSIAtom

Inherits:
Atom
  • Object
show all
Includes:
MSIObject
Defined in:
lib/chem/db/msi.rb

Constant Summary

Constants included from Atom

Atom::MDLAtomLineFormat

Instance Attribute Summary

Attributes included from MSIObject

#child, #parent, #prop

Attributes included from Atom

#charge, #color, #element, #mass, #v_pos, #visible, #x, #y, #z

Instance Method Summary collapse

Methods included from MSIObject

#initialize

Methods included from Atom

#atomic_number, #electro_negativity, #natural_bond_order, #to_mdl, #to_sybyl, #weight

Instance Method Details

#b ⇒ Object 



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# File 'lib/chem/db/msi.rb', line 40

def b
  @prop['Atom1']
end

#e ⇒ Object 



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# File 'lib/chem/db/msi.rb', line 44

def e
  @prop['Atom2']
end