Module: Alumina

Defined in:

lib/alumina.rb,
lib/alumina/hin.rb,
lib/alumina/atom.rb,
lib/alumina/errors.rb,
lib/alumina/element.rb,
lib/alumina/molecule.rb,
lib/alumina/hin/parser.rb,
lib/alumina/hin/writer.rb

Overview

Container module for classes of the Alumina gem.

Defined Under Namespace

Modules: HIN Classes: Atom, Element, Molecule, ParseError

Constant Summary

ELEMENTS_PATH =

File.expand_path("#{File.dirname(__FILE__)}/../data/elements.yml")

ELEMENTS =

An array of all Elements, loaded from a YAML data file.

YAML.load(File.read(ELEMENTS_PATH)).map { |atomic_number, data| Element.new(atomic_number, data[:name], data[:symbol]) }

ELEMENTS_BY_SYMBOL =

All elements hashed by their symbol (e.g., “Ag” for silver).

ELEMENTS.inject({}) { |hsh, cur| hsh[cur.symbol] = cur ; hsh }

ELEMENTS_BY_NUMBER =

All elements hashed by their atomic number.

ELEMENTS.inject({}) { |hsh, cur| hsh[cur.atomic_number] = cur ; hsh }

Class Method Summary

• .HIN(input) ⇒ Array<Alumina::Molecule>

  Creates a HIN::Parser and calls HIN::Parser#parse on it.

Class Method Details

.HIN(input) ⇒ Array<Alumina::Molecule>

Creates a Alumina::HIN::Parser and calls Alumina::HIN::Parser#parse on it.

Parameters:

• input (IO, String) —

  The HIN data to parse.

Returns:

• (Array<Alumina::Molecule>) —

  The molecules described by the data.

Raises:

• (ParseError) —

  If the HIN data is improperly formatted.

# File 'lib/alumina.rb', line 29

def self.HIN(input)
  Alumina::HIN::Parser.new.parse(input)
end