Class: Chem::SmilesAtom

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

Constant Summary

Constants included from Atom

Atom::MDLAtomLineFormat

Instance Attribute Summary collapse

Attributes included from Atom

#cdk_atom, #color, #label, #mass, #ob_atom, #rings, #v_pos, #visible, #x, #y, #z

Instance Method Summary collapse

Methods included from Atom

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

Methods included from Transform::ThreeDimension

#z, #z=

Methods included from Transform::TwoDimension

#pos, #x, #x=, #y, #y=

Dynamic Method Handling

This class handles dynamic methods through the method_missing method in the class Chem::Atom

Instance Attribute Details

#bond ⇒ Object

Returns the value of attribute bond.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def bond
  @bond
end

#charge ⇒ Object

Returns the value of attribute charge.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def charge
  @charge
end

#chiral ⇒ Object

Returns the value of attribute chiral.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def chiral
  @chiral
end

#element ⇒ Object

Returns the value of attribute element.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def element
  @element
end

#hydrogen_count ⇒ Object

Returns the value of attribute hydrogen_count.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def hydrogen_count
  @hydrogen_count
end

#is_aromatic ⇒ Object

Returns the value of attribute is_aromatic.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def is_aromatic
  @is_aromatic
end

#smiles_pos ⇒ Object

Returns the value of attribute smiles_pos.



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# File 'lib/chem/db/smiles/smiparser.rb', line 336

def smiles_pos
  @smiles_pos
end

Instance Method Details

#inspect ⇒ Object 



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# File 'lib/chem/db/smiles/smiparser.rb', line 338

def inspect
  "{%s %s(%s)}" % [@bond, @element, smiles_pos ? smiles_pos.join("-") : ""]
end