Module: Alumina::HIN::Writer::Atom

Included in:

Atom

Defined in:

lib/alumina/hin/writer.rb

Overview

Adds methods for writing data in HIN format to Atom objects.

Instance Method Summary

• #to_hin ⇒ Object

  Outputs this atom in HIN format.

Instance Method Details

#to_hin ⇒ Object

Outputs this atom in HIN format.

# File 'lib/alumina/hin/writer.rb', line 28

def to_hin
  "atom #{id} #{label || '-'} #{element.symbol} #{ignored1} #{ignored2} #{partial_charge} #{x} #{y} #{z} #{bonds.size} " + bonds.map { |atom, type| "#{atom.id} #{HIN::Parser::BOND_TYPES.key(type)}" }.join(' ')
end