eulim 0.0.6 → 0.0.7

checksums.yaml

@@ -1,7 +1,7 @@
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data/README.md

@@ -32,28 +32,27 @@ Or install it yourself as:
 #### Element
 
 * H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K , Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni
-* symbol, name, atomic_number, atomic_mass
+* attributes: symbol, name, atomic_number, atomic_mass
+* methods: get_by_* (* can be any of the attributes)
 
 #### Compound
 
-* molecular_mass
+* attributes: formula, molecular_mass, constituents
+* methods: new(compound formula)
 
 ## Usage
 
-	$ Eulim::Chemistry::Element.get_by_symbol("H")
-	=> #<Eulim::Chemistry::Element: @symbol="H", @name="Hydrogen", @atomic_number=1, @atomic_mass=1.008>
+	$ Eulim::Chemistry::Element.get_by_symbol "H"
+	=> #<Eulim::Chemistry::Element: @symbol="H", @name="Hydrogen", @atomic_number=1, @atomic_mass=1.0079>
 
-	$ Eulim::Chemistry::Element.get_by_atomic_number(12)
+	$ Eulim::Chemistry::Element.get_by_atomic_number 12
 	=> #<Eulim::Chemistry::Element: @symbol="Mg", @name="Magnesium", @atomic_number=12, @atomic_mass=24.305>
 
-	$ Eulim::Chemistry::Compound.new("CaCO3")
-	=> #<Eulim::Chemistry::Compound: @formula="CaCO3">
-
-	$ Eulim::Chemistry::Compound.new("CaCO3").elements
-	=> [#<Eulim::Chemistry::Element: @symbol="Ca", @name="Calcium", @atomic_number=20, @atomic_mass=40.078>, #<Eulim::Chemistry::Element: @symbol="C", @name="Carbon", @atomic_number=6, @atomic_mass=12.0107>, #<Eulim::Chemistry::Element: @symbol="O", @name="Oxygen", @atomic_number=8, @atomic_mass=15.9996>]
+	$ Eulim::Chemistry::Element.get_by_name "helium" # or "Helium"
+	=> #<Eulim::Chemistry::Element: @symbol="He", @name="Helium", @atomic_number=2, @atomic_mass=4.002602>
 
-	$ Eulim::Chemistry::Compound.new("Be3Al2(SiO3)6").molecular_mass
-	=> 537.505346
+	$ Eulim::Chemistry::Compound.new("CaCO3")
+	=> #<Eulim::Chemistry::Compound: @formula="CaCO3", @constituents=[{:element=>#<Eulim::Chemistry::Element: @symbol="Ca", @name="Calcium", @atomic_number=20, @atomic_mass=40.078>, :atom_count=>1}, {:element=>#<Eulim::Chemistry::Element: @symbol="C", @name="Carbon", @atomic_number=6, @atomic_mass=12.0107>, :atom_count=>1}, {:element=>#<Eulim::Chemistry::Element: @symbol="O", @name="Oxygen", @atomic_number=8, @atomic_mass=15.9996>, :atom_count=>3}], @molecular_mass=100.0875>
 	
 ## Development
 

data/lib/eulim/chemistry/compound.rb

@@ -2,63 +2,51 @@ module Eulim::Chemistry
 	class Compound
 
 		VALID_COMPOUND_REGEXP = /[A-Z][a-z]{0,2}\d*|\((?:[^()]*(?:\(.*\))?[^()]*)+\)\d*/
-		VAILD_ELEMENT_REGEXP = /[A-Z][a-z]{0,2}\d*/
 
+		attr_accessor :molecular_mass, :constituents, :formula
+		
 		def initialize(arg)
 			@formula = arg
+			@constituents = get_constituents
+			@molecular_mass = get_molecular_mass
 		end
 
-		def molecular_mass
-			mass = 0
-			element_atom_count = get_element_atom_count
-			element_atom_count.each do |symbol, count|
-				mass += Element.get_by_symbol(symbol).atomic_mass * count
+		private
+			def get_molecular_mass
+				mass = 0
+				@constituents.each do |constituent|
+					mass += constituent[:element].atomic_mass * constituent[:atom_count]
+				end
+				mass
 			end
-			mass
-		end
 
-		def elements
-			elements = []
-			element_atom_count = get_element_atom_count
-			element_atom_count.each do |symbol, count|
-				elements << Element.get_by_symbol(symbol)
+			def get_constituents
+				constituents = []
+				get_constituent_atoms.each do |symbol, count|
+					constituents << {element: Element.get_by_symbol(symbol), atom_count: count}
+				end
+				constituents
 			end
-			elements
-		end
 
-		private
-			def get_element_atom_count formula = @formula, group_multiplier = 1, result = {}, groups = []
-				formula
-				elements_n_groups = formula.scan VALID_COMPOUND_REGEXP
-				loop do
-					break if !elements_n_groups.last
-					elements = elements_n_groups.last.scan VAILD_ELEMENT_REGEXP
-					if elements.first === elements_n_groups.last
-						element_multipler = elements.first.match(/\d*$/).to_a.first.to_i
-						element_multipler = element_multipler > 0 ? element_multipler : 1
-						element_symbol = elements.first.match(/[A-Z][a-z]{0,2}/).to_a.first
-						if result[element_symbol]
-							result[element_symbol] += (element_multipler * group_multiplier)
-						else
-							result[element_symbol] = (element_multipler * group_multiplier)
-						end
+			def get_constituent_atoms formula=@formula, result={}
+				constituents = formula.scan VALID_COMPOUND_REGEXP
+				constituents.each do |constituent|
+					multipler = get_multipler constituent
+					if constituent[0] != '(' && multipler == 0
+						result[constituent] = result[constituent] ? result[constituent] + 1 : 1
 					else
-						groups << elements_n_groups.last
-					end
-					elements_n_groups.pop
-				end
-				loop do
-					break if !groups.last
-					group = groups.pop
-					grml = get_group_multiplier(group)
-					get_element_atom_count group[1..-(grml.to_s.length+1)], grml*group_multiplier, result, groups
+						(multipler == 0 ? 1 : multipler).times do
+							sub_constituents = constituent.match(/^\(?(.*?)\)?($|\d*$)/).to_a
+							idx = constituent == sub_constituents.first ? 1 : 0
+							get_constituent_atoms sub_constituents[idx], result
+						end
+					end	
 				end
 				result
 			end
 
-			def get_group_multiplier formula
-				group_multiplier = formula.scan(VALID_COMPOUND_REGEXP).first.match(/\d*$/).to_a.first.to_i
-				group_multiplier > 0 ? group_multiplier : 1
+			def get_multipler constituent
+				multipler = constituent.match(/\d*$/).to_a.first.to_i
 			end
 
 	end

data/lib/eulim/chemistry/element.rb

@@ -4,60 +4,72 @@ module Eulim::Chemistry
 		VALID_SYMBOL_REGEXP = /[A-Z][a-z]{0,2}/
 		VALID_NAME_REGEXP = /[A-Z][a-z]+/
 
-		attr_accessor :atomic_mass
+		attr_accessor :atomic_mass, :symbol, :name, :atomic_number
 
+		@@attributes = ['symbol', 'name', 'atomic_number', 'atomic_mass']
 		@@elements = [
-			{ symbol:'H',		name: 'Hydrogen', 	atomic_number: 1,		atomic_mass: 1.0079 },
-			{ symbol:'He',	name: 'Helium', 		atomic_number: 2,		atomic_mass: 4.002602 },
-			{ symbol:'Li',	name: 'Lithium', 		atomic_number: 3,		atomic_mass: 6.941 },
-			{ symbol:'Be',	name: 'Beryllium',	atomic_number: 4,		atomic_mass: 9.012182 },
-			{ symbol:'B',		name: 'Boron',			atomic_number: 5,		atomic_mass: 10.811 },
-			{ symbol:'C',		name: 'Carbon',			atomic_number: 6,		atomic_mass: 12.0107 },
-			{ symbol:'N',		name: 'Nitrogen',		atomic_number: 7,		atomic_mass: 14.0067 },
-			{ symbol:'O',		name: 'Oxygen',			atomic_number: 8,		atomic_mass: 15.9996 },
-			{ symbol:'F',		name: 'Fluorine',		atomic_number: 9,		atomic_mass: 18.9984 },
-			{ symbol:'Ne',	name: 'Neon',				atomic_number: 10,	atomic_mass: 20.1797 },
+			{ symbol:'H',	name: 'Hydrogen', 		atomic_number: 1,	atomic_mass: 1.0079 },
+			{ symbol:'He',	name: 'Helium', 		atomic_number: 2,	atomic_mass: 4.002602 },
+			{ symbol:'Li',	name: 'Lithium', 		atomic_number: 3,	atomic_mass: 6.941 },
+			{ symbol:'Be',	name: 'Beryllium',		atomic_number: 4,	atomic_mass: 9.012182 },
+			{ symbol:'B',	name: 'Boron',			atomic_number: 5,	atomic_mass: 10.811 },
+			{ symbol:'C',	name: 'Carbon',			atomic_number: 6,	atomic_mass: 12.0107 },
+			{ symbol:'N',	name: 'Nitrogen',		atomic_number: 7,	atomic_mass: 14.0067 },
+			{ symbol:'O',	name: 'Oxygen',			atomic_number: 8,	atomic_mass: 15.9996 },
+			{ symbol:'F',	name: 'Fluorine',		atomic_number: 9,	atomic_mass: 18.9984 },
+			{ symbol:'Ne',	name: 'Neon',			atomic_number: 10,	atomic_mass: 20.1797 },
 			{ symbol:'Na',	name: 'Sodium',			atomic_number: 11,	atomic_mass: 22.9897 },
-			{ symbol:'Mg',	name: 'Magnesium',	atomic_number: 12,	atomic_mass: 24.305 },
-			{ symbol:'Al',	name: 'Aluminium',	atomic_number: 13,	atomic_mass: 26.9815 },
+			{ symbol:'Mg',	name: 'Magnesium',		atomic_number: 12,	atomic_mass: 24.305 },
+			{ symbol:'Al',	name: 'Aluminium',		atomic_number: 13,	atomic_mass: 26.9815 },
 			{ symbol:'Si',	name: 'Silicon',		atomic_number: 14,	atomic_mass: 28.0855 },
-			{ symbol:'P',		name: 'Phosphorus',	atomic_number: 15,	atomic_mass: 30.9738 },
-			{ symbol:'S',		name: 'Sulfur',			atomic_number: 16,	atomic_mass: 32.065 },
+			{ symbol:'P',	name: 'Phosphorus',		atomic_number: 15,	atomic_mass: 30.9738 },
+			{ symbol:'S',	name: 'Sulfur',			atomic_number: 16,	atomic_mass: 32.065 },
 			{ symbol:'Cl',	name: 'Chlorine',		atomic_number: 17,	atomic_mass: 35.453 },
 			{ symbol:'Ar',	name: 'Argon',			atomic_number: 18,	atomic_mass: 39.948 },
-			{ symbol:'K',		name: 'Potassium',	atomic_number: 19,	atomic_mass: 39.0983 },
+			{ symbol:'K',	name: 'Potassium',		atomic_number: 19,	atomic_mass: 39.0983 },
 			{ symbol:'Ca',	name: 'Calcium',		atomic_number: 20,	atomic_mass: 40.078 },
 			{ symbol:'Sc',	name: 'Scandium',		atomic_number: 21,	atomic_mass: 44.9559 },
 			{ symbol:'Ti',	name: 'Titanium',		atomic_number: 22,	atomic_mass: 47.867 },
-			{ symbol:'V',		name: 'Vanadium',		atomic_number: 23,	atomic_mass: 50.9415 },
+			{ symbol:'V',	name: 'Vanadium',		atomic_number: 23,	atomic_mass: 50.9415 },
 			{ symbol:'Cr',	name: 'Chromium',		atomic_number: 24,	atomic_mass: 51.9961 },
-			{ symbol:'Mn',	name: 'Manganese',	atomic_number: 25,	atomic_mass: 54.938 },
-			{ symbol:'Fe',	name: 'Iron',				atomic_number: 26,	atomic_mass: 55.845 },
+			{ symbol:'Mn',	name: 'Manganese',		atomic_number: 25,	atomic_mass: 54.938 },
+			{ symbol:'Fe',	name: 'Iron',			atomic_number: 26,	atomic_mass: 55.845 },
 			{ symbol:'Co',	name: 'Cobalt',			atomic_number: 27,	atomic_mass: 58.9332 },
 			{ symbol:'Ni',	name: 'Nickel',			atomic_number: 28,	atomic_mass: 58.6934 }
 		]
 
-		def initialize args
-			if args
-				args.each do |k,v|
-					instance_variable_set("@#{k}", v) unless v.nil?
+		private
+			def self.method_missing m, *args
+				if m.to_s.start_with?("get_by_")
+					attribute = m.to_s.split("get_by_").last
+					if @@attributes.include? attribute
+						args[0] = attribute == 'name' ? args[0].capitalize : args[0]
+						element_data = self.all.select { |element| element[attribute.to_sym] === args[0]}.first
+						if element_data
+							new(element_data)
+						else
+							raise "Element not found"
+						end
+					else
+						raise NameError, "Element class does not have that attribute or method"
+					end
+				else
+					super
 				end
-			else
-				nil
 			end
-		end
 
-		def self.all
-			@@elements
-		end
-
-		def self.get_by_symbol(symbol)
-			new(self.all.select { |element| element[:symbol] === symbol }.first)
-		end
-
-		def self.get_by_atomic_number(z)
-			new(self.all.select { |element| element[:atomic_number] === z }.first)
-		end
+			def self.all
+				@@elements
+			end
 
+			def initialize args
+				if args
+					args.each do |k,v|
+						instance_variable_set("@#{k}", v) unless v.nil?
+					end
+				else
+					nil
+				end
+			end
 	end
 end

data/lib/eulim/version.rb

@@ -1,3 +1,3 @@
 module Eulim
-  VERSION = "0.0.6"
+  VERSION = "0.0.7"
 end

metadata

@@ -1,14 +1,14 @@
 --- !ruby/object:Gem::Specification
 name: eulim
 version: !ruby/object:Gem::Version
-  version: 0.0.6
+  version: 0.0.7
 platform: ruby
 authors:
 - Syed Fazil Basheer
 autorequire: 
 bindir: exe
 cert_chain: []
-date: 2017-05-22 00:00:00.000000000 Z
+date: 2017-05-24 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: bundler