compound.rb in eulim-0.0.12

- old
+ new
@@ -1,61 +1,61 @@
-require 'unitwise'
-
-module Eulim
-  module Chemistry
-    # This class has functionality for compounds
-    # Ex: constituent elements, molecular mass, etc
-    class Compound
-      COMPOUND_REGEXP =
-        /[A-Z][a-z]{0,2}\d*|\((?:[^()]*(?:\(.*\))?[^()]*)+\)\d*/
-
-      attr_accessor :molecular_mass, :constituents, :formula
-
-      def initialize(arg)
-        @formula = arg
-        build_constituents
-        calculate_molecular_mass
-      end
-
-      private
-
-      def calculate_molecular_mass
-        @molecular_mass = Unitwise(0, 'u')
-        @constituents.each do |_symbol, info|
-          @molecular_mass += info[:element].atomic_mass * info[:atom_count]
-        end
-        @molecular_mass
-      end
-
-      def build_constituents
-        @constituents = {}
-        get_const_atoms.each do |symbol, count|
-          @constituents[symbol] = {
-            element: Element.get_by_symbol(symbol),
-            atom_count: count
-          }
-        end
-        @constituents
-      end
-
-      def get_const_atoms(formula = @formula, r = {})
-        formula.scan(COMPOUND_REGEXP).each do |const|
-          multipler = get_multipler const
-          if const[0] != '(' && multipler.zero?
-            r[const] = r[const] ? r[const] + 1 : 1
-          else
-            (multipler.zero? ? 1 : multipler).times do
-              sub_const = const.match(/^\(?(.*?)\)?($|\d*$)/).to_a
-              get_const_atoms sub_const[const == sub_const.first ? 1 : 0], r
-            end
-          end
-        end
-        r
-      end
-
-      def get_multipler(const)
-        multipler = const.match(/\d*$/).to_a.first.to_i
-        multipler
-      end
-    end
-  end
-end
+require 'unitwise'
+
+module Eulim
+  module Chemistry
+    # This class has functionality for compounds
+    # Ex: constituent elements, molecular mass, etc
+    class Compound
+      COMPOUND_REGEXP =
+        /[A-Z][a-z]{0,2}\d*|\((?:[^()]*(?:\(.*\))?[^()]*)+\)\d*/
+
+      attr_accessor :molecular_mass, :constituents, :formula
+
+      def initialize(arg)
+        @formula = arg
+        build_constituents
+        calculate_molecular_mass
+      end
+
+      private
+
+      def calculate_molecular_mass
+        @molecular_mass = Unitwise(0, 'u')
+        @constituents.each do |_symbol, info|
+          @molecular_mass += info[:element].atomic_mass * info[:atom_count]
+        end
+        @molecular_mass
+      end
+
+      def build_constituents
+        @constituents = {}
+        get_const_atoms.each do |symbol, count|
+          @constituents[symbol] = {
+            element: Element.get_by_symbol(symbol),
+            atom_count: count
+          }
+        end
+        @constituents
+      end
+
+      def get_const_atoms(formula = @formula, r = {})
+        formula.scan(COMPOUND_REGEXP).each do |const|
+          multipler = get_multipler const
+          if const[0] != '(' && multipler.zero?
+            r[const] = r[const] ? r[const] + 1 : 1
+          else
+            (multipler.zero? ? 1 : multipler).times do
+              sub_const = const.match(/^\(?(.*?)\)?($|\d*$)/).to_a
+              get_const_atoms sub_const[const == sub_const.first ? 1 : 0], r
+            end
+          end
+        end
+        r
+      end
+
+      def get_multipler(const)
+        multipler = const.match(/\d*$/).to_a.first.to_i
+        multipler
+      end
+    end
+  end
+end