eulim 0.0.11 → 0.0.12

data/lib/eulim/chemistry/elements.csv

@@ -1,110 +1,110 @@
-symbol,name,atomic_number,atomic_weight
-H,Hydrogen,1,1.0079
-He,Helium,2,4.002602
-Li,Lithium,3,6.941
-Be,Beryllium,4,9.012182
-B,Boron,5,10.811
-C,Carbon,6,12.0107
-N,Nitrogen,7,14.0067
-O,Oxygen,8,15.9996
-F,Fluorine,9,18.9984
-Ne,Neon,10,20.1797
-Na,Sodium,11,22.9897
-Mg,Magnesium,12,24.305
-Al,Aluminium,13,26.9815
-Si,Silicon,14,28.0855
-P,Phosphorus,15,30.9738
-S,Sulfur,16,32.065
-Cl,Chlorine,17,35.453
-Ar,Argon,18,39.948
-K,Potassium,19,39.0983
-Ca,Calcium,20,40.078
-Sc,Scandium,21,44.9559
-Ti,Titanium,22,47.867
-V,Vanadium,23,50.9415
-Cr,Chromium,24,51.9961
-Mn,Manganese,25,54.938
-Fe,Iron,26,55.845
-Co,Cobalt,27,58.9332
-Ni,Nickel,28,58.6934
-Cu,Copper,29,63.546
-Zn,Zinc,30,65.39
-Ga,Gallium,31,69.723
-Ge,Germanium,32,72.64
-As,Arsenic,33,74.9216
-Se,Selenium,34,78.96
-Br,Bromine,35,79.904
-Kr,Krypton,36,83.3
-Rb,Rubidium,37,85.4678
-Sr,Strontium,38,87.62
-Y,Yttrium,39,88.9059
-Zr,Zirconium,40,91.224
-Nb,Niobium,41,92.9064
-Mo,Molybdenum,42,95.94
-Tc,Technitium,43,98
-Ru,Ruthenium,44,101.07
-Rh,Rhodium,45,102.9055
-Pd,Palladium,46,106.42
-Ag,Silver,47,107.8682
-Cd,Cadmiuim,48,112.411
-In,Indium,49,114.818
-Sn,Tin,50,118.71
-Sb,Antimony,51,121.76
-Te,Tellurium,52,127.6
-I,Iodine,53,126.9045
-Xe,Xenon,54,131.293
-Cs,Cesium,55,132.9055
-Ba,Barium,56,137.327
-La,Lanthanum,57,138.9055
-Ce,Cerium,58,140.116
-Pr,Praseodymium,59,140.9077
-Nd,Neodymium,60,144.24
-Pm,Promethium,61,145
-Sm,Samarium,62,150.36
-Eu,Europium,63,151.964
-Gd,Gadolium,64,157.25
-Tb,Terbium,65,158.9253
-Dy,Dysprosium,66,162.5
-Ho,Holmium,67,164.9303
-Er,Erbium,68,167.259
-Tm,Thulium,69,168.9342
-Yb,Ytterbium,70,173.04
-Lu,Lutetium,71,174.967
-Hf,Hafnium,72,178.49
-Ta,Tantalum,73,180.9479
-W,Tungsten,74,183.84
-Re,Rhenium,75,186.207
-Os,Osmium,76,190.23
-Ir,Iridium,77,192.217
-Pt,Platinum,78,195.078
-Au,Gold,79,196.9665
-Hg,Mercury,80,200.59
-Tl,Thallium,81,204.3833
-Pb,Lead,82,207.2
-Bi,Bismuth,83,208.9804
-Po,Polonium,84,209
-At,Astatine,85,210
-Rn,Radon,86,222
-Fr,Francium,87,223
-Ra,Radium,88,226
-Ac,Actinium,89,227
-Th,Thorium,90,232.0381
-Pa,Protactinium,91,231.0359
-U,Uranium,92,238.0289
-Np,Neptunum,93,237
-Pu,Plutonium,94,244
-Am,Americium,95,243
-Cm,Curium,96,247
-Bk,Berkilium,97,247
-Cf,Californium,98,251
-Es,Einsteinium,99,252
-Fm,Fermium,100,257
-Md,Mendelevium,101,258
-No,Nobelium,102,259
-Lr,Lawrencium,103,262
-Rf,Rutherfordium,104,261
-Db,Dubnium,105,262
-Sg,Seaborgium,106,266
-Bh,Bohrium,107,264
-Hs,Hassium,108,277
+symbol,name,atomic_number,atomic_weight
+H,Hydrogen,1,1.0079
+He,Helium,2,4.002602
+Li,Lithium,3,6.941
+Be,Beryllium,4,9.012182
+B,Boron,5,10.811
+C,Carbon,6,12.0107
+N,Nitrogen,7,14.0067
+O,Oxygen,8,15.9996
+F,Fluorine,9,18.9984
+Ne,Neon,10,20.1797
+Na,Sodium,11,22.9897
+Mg,Magnesium,12,24.305
+Al,Aluminium,13,26.9815
+Si,Silicon,14,28.0855
+P,Phosphorus,15,30.9738
+S,Sulfur,16,32.065
+Cl,Chlorine,17,35.453
+Ar,Argon,18,39.948
+K,Potassium,19,39.0983
+Ca,Calcium,20,40.078
+Sc,Scandium,21,44.9559
+Ti,Titanium,22,47.867
+V,Vanadium,23,50.9415
+Cr,Chromium,24,51.9961
+Mn,Manganese,25,54.938
+Fe,Iron,26,55.845
+Co,Cobalt,27,58.9332
+Ni,Nickel,28,58.6934
+Cu,Copper,29,63.546
+Zn,Zinc,30,65.39
+Ga,Gallium,31,69.723
+Ge,Germanium,32,72.64
+As,Arsenic,33,74.9216
+Se,Selenium,34,78.96
+Br,Bromine,35,79.904
+Kr,Krypton,36,83.3
+Rb,Rubidium,37,85.4678
+Sr,Strontium,38,87.62
+Y,Yttrium,39,88.9059
+Zr,Zirconium,40,91.224
+Nb,Niobium,41,92.9064
+Mo,Molybdenum,42,95.94
+Tc,Technitium,43,98
+Ru,Ruthenium,44,101.07
+Rh,Rhodium,45,102.9055
+Pd,Palladium,46,106.42
+Ag,Silver,47,107.8682
+Cd,Cadmiuim,48,112.411
+In,Indium,49,114.818
+Sn,Tin,50,118.71
+Sb,Antimony,51,121.76
+Te,Tellurium,52,127.6
+I,Iodine,53,126.9045
+Xe,Xenon,54,131.293
+Cs,Cesium,55,132.9055
+Ba,Barium,56,137.327
+La,Lanthanum,57,138.9055
+Ce,Cerium,58,140.116
+Pr,Praseodymium,59,140.9077
+Nd,Neodymium,60,144.24
+Pm,Promethium,61,145
+Sm,Samarium,62,150.36
+Eu,Europium,63,151.964
+Gd,Gadolium,64,157.25
+Tb,Terbium,65,158.9253
+Dy,Dysprosium,66,162.5
+Ho,Holmium,67,164.9303
+Er,Erbium,68,167.259
+Tm,Thulium,69,168.9342
+Yb,Ytterbium,70,173.04
+Lu,Lutetium,71,174.967
+Hf,Hafnium,72,178.49
+Ta,Tantalum,73,180.9479
+W,Tungsten,74,183.84
+Re,Rhenium,75,186.207
+Os,Osmium,76,190.23
+Ir,Iridium,77,192.217
+Pt,Platinum,78,195.078
+Au,Gold,79,196.9665
+Hg,Mercury,80,200.59
+Tl,Thallium,81,204.3833
+Pb,Lead,82,207.2
+Bi,Bismuth,83,208.9804
+Po,Polonium,84,209
+At,Astatine,85,210
+Rn,Radon,86,222
+Fr,Francium,87,223
+Ra,Radium,88,226
+Ac,Actinium,89,227
+Th,Thorium,90,232.0381
+Pa,Protactinium,91,231.0359
+U,Uranium,92,238.0289
+Np,Neptunum,93,237
+Pu,Plutonium,94,244
+Am,Americium,95,243
+Cm,Curium,96,247
+Bk,Berkilium,97,247
+Cf,Californium,98,251
+Es,Einsteinium,99,252
+Fm,Fermium,100,257
+Md,Mendelevium,101,258
+No,Nobelium,102,259
+Lr,Lawrencium,103,262
+Rf,Rutherfordium,104,261
+Db,Dubnium,105,262
+Sg,Seaborgium,106,266
+Bh,Bohrium,107,264
+Hs,Hassium,108,277
 Mt,Meitnerium,109,268

data/lib/eulim/chemistry/reaction.rb

@@ -1,73 +1,82 @@
-module Eulim
-  module Chemistry
-    # This class has functionality for reaction
-    # Ex: check for balanced rxn, validity of a rxn
-    class Reaction
-      attr_accessor :equation, :is_valid, :is_balanced, :species
-      def initialize(arg)
-        @equation = arg
-        @species = build_species
-        @is_valid = valid_rxn?
-        @is_balanced = balanced_rxn?
-      end
-
-      private
-
-      def build_species
-        r = {}
-        result = {}
-        r[:reactants], r[:products] = @equation.split('>>')
-        r.each do |type, _type_species|
-          result[type] = {}
-          r[type].split('+').each do |specie|
-            result[type].merge!(get_specie_info(specie))
-          end
-        end
-        result
-      end
-
-      def get_specie_info(specie)
-        specie = specie.strip
-        sc = get_stoichiometry specie
-        offset = sc.zero? ? 0 : sc.to_s.length
-        specie_str = specie[offset..specie.length]
-        {
-          specie_str => {
-            compound: Compound.new(specie_str),
-            stoichiometry: sc.zero? ? 1 : sc
-          }
-        }
-      end
-
-      def balanced_rxn?
-        bal = { reactants: {}, products: {} }
-        @species.each do |type, type_species|
-          type_species.each do |_specie, s_info|
-            s_info[:compound].constituents.each do |sym, c_info|
-              bal[type][sym] ||= 0
-              bal[type][sym] += c_info[:atom_count] * s_info[:stoichiometry]
-            end
-          end
-        end
-        bal[:products] == bal[:reactants]
-      end
-
-      def valid_rxn?
-        valid = {}
-        @species.each do |type, type_species|
-          valid[type] = []
-          type_species.each do |_specie, info|
-            info[:compound].constituents.each do |symbol, _count|
-              valid[type] << symbol
-            end
-          end
-        end
-        valid[:reactants].sort.uniq == valid[:products].sort.uniq
-      end
-
-      def get_stoichiometry(specie)
-        specie.match(/^\d*/).to_a.first.to_i
-      end
-    end
-  end
-end
+module Eulim
+  module Chemistry
+    # This class has functionality for reaction
+    # Ex: check for balanced rxn, validity of a rxn
+    class Reaction
+      attr_accessor :equation, :is_valid, :is_balanced, :species
+
+      STATES = { '(s)' => 'solid', '(l)' => 'liquid', '(g)' => 'gaseous', '(aq)' => 'aqueous', "" => 'liquid' }
+
+      def initialize(arg)
+        @equation = arg
+        @species = build_species
+        @is_valid = valid_rxn?
+        @is_balanced = balanced_rxn?
+      end
+
+     # private
+
+      def build_species
+        r = {}
+        result = {}
+        r[:reactants], r[:products] = @equation.split('>>')
+        r.each do |type, _type_species|
+          result[type] = {}
+          r[type].split('+').each do |specie|
+            result[type].merge!(get_specie_info(specie.strip))
+          end
+        end
+        result
+      end
+
+      def get_specie_info(specie)
+        sc = get_stoichiometry specie
+        st = get_state specie
+        offset_sc = sc.zero? ? 0 : sc.to_s.length
+        offset_st = st.empty? ? 0 : st.length
+        specie_str = specie[offset_sc..(specie.length - offset_st -1)]
+        {
+          specie_str => {
+            compound: Compound.new(specie_str),
+            stoichiometry: sc.zero? ? 1 : sc,
+            state: STATES[st]
+          }
+        }
+      end
+
+      def balanced_rxn?
+        bal = { reactants: {}, products: {} }
+        @species.each do |type, type_species|
+          type_species.each do |_specie, s_info|
+            s_info[:compound].constituents.each do |sym, c_info|
+              bal[type][sym] ||= 0
+              bal[type][sym] += c_info[:atom_count] * s_info[:stoichiometry]
+            end
+          end
+        end
+        bal[:products] == bal[:reactants]
+      end
+
+      def valid_rxn?
+        valid = {}
+        @species.each do |type, type_species|
+          valid[type] = []
+          type_species.each do |_specie, info|
+            info[:compound].constituents.each do |symbol, _count|
+              valid[type] << symbol
+            end
+          end
+        end
+        valid[:reactants].sort.uniq == valid[:products].sort.uniq
+      end
+
+      def get_stoichiometry(specie)
+        specie.match(/^\d*/).to_a.first.to_i
+      end
+
+      def get_state(specie)
+        specie.match(/\((s|l|g|aq)\)$/).to_s
+      end
+    end
+  end
+end

data/lib/eulim/chemistry/substance.rb

@@ -0,0 +1,18 @@
+module Eulim
+  module Chemistry
+    # This class is for mixture of compounds/elements
+    class Substance
+      attr_accessor :species
+      def initialize(args)
+        @species = {}
+        tt_wt_p = args.inject(0) { |sum, arg| sum + arg.last }
+        args.each do |specie, wt_p|
+          @species.merge! specie => {
+            compound: Compound.new(specie),
+            weight_percent: wt_p.to_f / tt_wt_p * 100
+          }
+        end
+      end
+    end
+  end
+end

data/lib/eulim/structures.rb

@@ -1,6 +1,6 @@
-module Eulim
-  # This module will contain all physical structures
-  # Ex: pipes, sheets, walls, bridges, etc
-  module Structures
-  end
-end
+module Eulim
+  # This module will contain all physical structures
+  # Ex: pipes, sheets, walls, bridges, etc
+  module Structures
+  end
+end

data/lib/eulim/structures/pipe.rb

@@ -1,13 +1,13 @@
-module Eulim
-  module Structures
-    # This is the class for Pipe
-    # It inherits from Structure
-    class Pipe < Structure
-      def initialize(*args) end
-
-      def self.requirements
-        'gimme radius, length, thickness, material...'
-      end
-    end
-  end
-end
+module Eulim
+  module Structures
+    # This is the class for Pipe
+    # It inherits from Structure
+    class Pipe < Structure
+      def initialize(*args) end
+
+      def self.requirements
+        'gimme radius, length, thickness, material...'
+      end
+    end
+  end
+end

data/lib/eulim/structures/structure.rb

@@ -1,12 +1,12 @@
-module Eulim
-  module Structures
-    # This is the base class for all structures
-    class Structure
-      def initialize(*args) end
-
-      def self.requirements
-        'gimme some stuff.'
-      end
-    end
-  end
-end
+module Eulim
+  module Structures
+    # This is the base class for all structures
+    class Structure
+      def initialize(*args) end
+
+      def self.requirements
+        'gimme some stuff.'
+      end
+    end
+  end
+end