eulim 0.0.11 → 0.0.12

data/Rakefile

@@ -1,6 +1,6 @@
-require 'bundler/gem_tasks'
-require 'rspec/core/rake_task'
-
-RSpec::Core::RakeTask.new(:spec)
-
-task default: :spec
+require 'bundler/gem_tasks'
+require 'rspec/core/rake_task'
+
+RSpec::Core::RakeTask.new(:spec)
+
+task default: :spec

data/bin/console

@@ -1,14 +1,14 @@
-#!/usr/bin/env ruby
-
-require 'bundler/setup'
-require 'eulim'
-
-# You can add fixtures and/or initialization code here to make experimenting
-# with your gem easier. You can also use a different console, if you like.
-
-# (If you use this, don't forget to add pry to your Gemfile!)
-# require 'pry'
-# Pry.start
-
-require 'irb'
-IRB.start(__FILE__)
+#!/usr/bin/env ruby
+
+require 'bundler/setup'
+require 'eulim'
+
+# You can add fixtures and/or initialization code here to make experimenting
+# with your gem easier. You can also use a different console, if you like.
+
+# (If you use this, don't forget to add pry to your Gemfile!)
+# require 'pry'
+# Pry.start
+
+require 'irb'
+IRB.start(__FILE__)

data/bin/setup

@@ -1,8 +1,8 @@
-#!/usr/bin/env bash
-set -euo pipefail
-IFS=$'\n\t'
-set -vx
-
-bundle install
-
-# Do any other automated setup that you need to do here
+#!/usr/bin/env bash
+set -euo pipefail
+IFS=$'\n\t'
+set -vx
+
+bundle install
+
+# Do any other automated setup that you need to do here

data/eulim.gemspec

@@ -1,43 +1,44 @@
-# coding: utf-8
-lib = File.expand_path('../lib', __FILE__)
-$LOAD_PATH.unshift(lib) unless $LOAD_PATH.include?(lib)
-require 'eulim/version'
-
-Gem::Specification.new do |spec|
-  spec.name          = 'eulim'
-  spec.version       = Eulim::VERSION
-  spec.authors       = ['Syed Fazil Basheer']
-  spec.email         = ['fazil.basheer@quester.xyz']
-
-  spec.summary       = 'A gem for scientific data.'
-  spec.description   = 'A gem for scientific data.'
-  spec.homepage      = 'https://github.com/syedfazilbasheer-quester/eulim-gem'
-  spec.license       = 'MIT'
-
-  # Prevent pushing this gem to RubyGems.org.
-  # To allow pushes either set the 'allowed_push_host'
-  #   to allow pushing to a single host
-  # or delete this section to allow pushing to any host.
-  # if spec.respond_to?(:metadata)
-  #   spec.metadata['allowed_push_host'] =
-  #     'https://github.com/syedfazilbasheer-quester/eulim-gem'
-  # else
-  #   raise 'RubyGems 2.0 or newer is required to protect against ' \
-  #     'public gem pushes.'
-  # end
-
-  spec.files         = `git ls-files -z`.split("\x0").reject do |f|
-    f.match(%r{^(test|spec|features)/})
-  end
-  spec.bindir        = 'exe'
-  spec.executables   = spec.files.grep(%r{^exe/}) { |f| File.basename(f) }
-  spec.require_paths = ['lib']
-
-  spec.add_development_dependency 'bundler', '~> 1.14'
-  spec.add_development_dependency 'rake', '~> 10.0'
-  spec.add_development_dependency 'rspec', '~> 3.0'
-  spec.add_development_dependency 'rubocop', '~>0.49.1'
-  
-  spec.add_dependency 'require_all', '~> 1.4.0'
-  spec.add_dependency 'unitwise', '~> 2.1.0'
-end
+# coding: utf-8
+lib = File.expand_path('../lib', __FILE__)
+$LOAD_PATH.unshift(lib) unless $LOAD_PATH.include?(lib)
+require 'eulim/version'
+
+Gem::Specification.new do |spec|
+  spec.name          = 'eulim'
+  spec.version       = Eulim::VERSION
+  spec.authors       = ['Syed Fazil Basheer','Somesh Choudhary']
+  spec.email         = ['fazil.basheer@quester.xyz', 'c.somesh5@gmail.com']
+	
+
+  spec.summary       = 'A gem for scientific data.'
+  spec.description   = 'A gem for scientific data.'
+  spec.homepage      = 'https://github.com/syedfazilbasheer-quester/eulim-gem'
+  spec.license       = 'MIT'
+
+  # Prevent pushing this gem to RubyGems.org.
+  # To allow pushes either set the 'allowed_push_host'
+  #   to allow pushing to a single host
+  # or delete this section to allow pushing to any host.
+  # if spec.respond_to?(:metadata)
+  #   spec.metadata['allowed_push_host'] =
+  #     'https://github.com/syedfazilbasheer-quester/eulim-gem'
+  # else
+  #   raise 'RubyGems 2.0 or newer is required to protect against ' \
+  #     'public gem pushes.'
+  # end
+
+  spec.files         = `git ls-files -z`.split("\x0").reject do |f|
+    f.match(%r{^(test|spec|features)/})
+  end
+  spec.bindir        = 'exe'
+  spec.executables   = spec.files.grep(%r{^exe/}) { |f| File.basename(f) }
+  spec.require_paths = ['lib']
+
+  spec.add_development_dependency 'bundler', '~> 1.14'
+  spec.add_development_dependency 'rake', '~> 10.0'
+  spec.add_development_dependency 'rspec', '~> 3.0'
+  spec.add_development_dependency 'rubocop', '~>0.49.1'
+
+  spec.add_dependency 'require_all', '~> 1.4.0'
+  spec.add_dependency 'unitwise', '~> 2.1.0'
+end

data/lib/class.rb

@@ -0,0 +1,6 @@
+# Custom enhancements
+class Class
+  def humanized_name
+    to_s.split('::').last.humanize
+  end
+end

data/lib/eulim.rb

@@ -1,8 +1,26 @@
-require 'require_all'
-
-require_all '../eulim/lib'
-
-# Root module. Everything in the gem goes inside this
-module Eulim
-  # Your code goes here...
-end
+require 'require_all'
+require 'unitwise'
+
+require_all '../eulim/lib'
+
+# Root module. Everything in the gem goes inside this
+module Eulim
+end
+
+Ch    =   Eulim::Chemistry
+Elem  =   Ch::Element
+Comp  =   Ch::Compound
+Rxn   =   Ch::Reaction
+Subs  =   Ch::Substance
+
+Cl    =   Eulim::Chemical
+Rcts  =   Cl::Reactors
+Br    =   Rcts::Batch
+Cstr  =   Rcts::CSTR
+Pfr   =   Rcts::PFR
+
+def Unitwise(*args)
+  regex = /(\d+)(.*)/
+  args = args.first.scan(regex).first.collect(&:strip) if args.count == 1
+  Unitwise::Measurement.new(*args.first.to_f, *args.last)
+end

data/lib/eulim/chemical.rb

@@ -0,0 +1,6 @@
+module Eulim
+  # This module will contain all chemical engineering related knowledge
+  # Ex: Reactors
+  module Chemical
+  end
+end

data/lib/eulim/chemical/reactors.rb

@@ -0,0 +1,11 @@
+module Eulim
+  module Chemical
+    # This module contains knowledge of chemical reactors
+    # Ex: Batch, CSTR, PFR
+    module Reactors
+      CSTR = ContinuousStirredTankReactor
+      Batch = BatchReactor
+      PFR = PlugFlowReactor
+    end
+  end
+end

data/lib/eulim/chemical/reactors/batch_reactor.rb

@@ -0,0 +1,14 @@
+module Eulim
+  module Chemical
+    module Reactors
+      # This class is for batch reactors
+      # assumptions: well mixed, closed system
+      class BatchReactor < Reactor
+        def initialize(args = {})
+          super args
+          @system = args[:system] == :isolated ? :isolated : :closed
+        end
+      end
+    end
+  end
+end

data/lib/eulim/chemical/reactors/continuous_stirred_tank_reactor.rb

@@ -0,0 +1,16 @@
+module Eulim
+  module Chemical
+    module Reactors
+      # This class is for cst reactors
+      class ContinuousStirredTankReactor < Reactor
+        def initialize(args = {})
+          super args
+        end
+
+        def self.humanized_name
+          'Continuous stirred-tank reactor'
+        end
+      end
+    end
+  end
+end

data/lib/eulim/chemical/reactors/plug_flow_reactor.rb

@@ -0,0 +1,12 @@
+module Eulim
+  module Chemical
+    module Reactors
+      # This class is for cst reactors
+      class PlugFlowReactor < Reactor
+        def initialize(args = {})
+          super args
+        end
+      end
+    end
+  end
+end

data/lib/eulim/chemical/reactors/reactor.rb

@@ -0,0 +1,27 @@
+module Eulim
+  module Chemical
+    module Reactors
+      # This is the base class for the diff kinds of reactors
+      class Reactor
+        attr_accessor :system, :volume, :input, :output, :conversion
+
+        def initialize(args = {})
+          @volume = volume_if_valid(args[:volume]) if args[:volume]
+          @system = args[:system] || :open
+        end
+
+        private
+
+        def volume_if_valid(vol)
+          begin
+            vol = Unitwise(vol)
+          rescue
+            raise ArgumentError, 'Invalid volume argument'
+          end
+          return vol if vol.composition.to_h == { 'L' => 3 }
+          raise ArgumentError, 'Invalid volume unit'
+        end
+      end
+    end
+  end
+end

data/lib/eulim/chemistry.rb

@@ -1,6 +1,6 @@
-module Eulim
-  # This module will contain all chemistry related info
-  # Ex: Elements, Compounds, Reactions, etc
-  module Chemistry
-  end
-end
+module Eulim
+  # This module will contain all chemistry related info
+  # Ex: Elements, Compounds, Reactions, etc
+  module Chemistry
+  end
+end

data/lib/eulim/chemistry/compound.rb

@@ -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

data/lib/eulim/chemistry/element.rb

@@ -1,54 +1,53 @@
-require 'csv'
-require 'unitwise'
-
-module Eulim
-  module Chemistry
-    # This class has functionality for elements
-    # Ex: symbol, atomic mass, atomic number
-    class Element
-      attr_accessor :atomic_mass, :symbol, :name, :atomic_number
-
-      ATTRS = %w[symbol name atomic_number atomic_mass].freeze
-      # Data taken from 'www.science.co.il/elements/'
-      ELEMENTS = []
-
-      def initialize(arg)
-        @name = arg[1]
-        @symbol = arg[0]
-        @atomic_number = arg[2].to_i
-        @atomic_mass = Unitwise(arg[3].to_f, 'u')
-      end
-
-      # elements of the csv have no spaces
-      CSV.foreach(File.join(File.dirname(__FILE__), 'elements.csv'), headers: true) do |row|
-        ELEMENTS << new(row)
-      end
-
-      private_class_method def self.method_missing(m, *args)
-        attribute = m.to_s.split('get_by_').last
-        valid_method? m, attribute
-        raise 'please give argument' if args.empty?
-        args[0] = attribute == 'name' ? args[0].capitalize : args[0]
-        element_data = get_element_by_attribute attribute, args[0]
-        raise 'Element not found' unless element_data
-        element_data
-      end
-
-      private_class_method def self.get_element_by_attribute(attribute, value)
-        ELEMENTS.each do |element|
-          # elements value of attribute == value give by user
-          return element if
-            element.instance_variable_get(('@' + attribute).intern) == value
-        end
-        raise(NameError, 'element not found')
-      end
-
-      private_class_method def self.valid_method?(m, attribute)
-        super unless m.to_s.start_with?('get_by_')
-        raise(NameError, 'Invalid attribute') unless ATTRS.include? attribute
-      end
-
-      private_class_method :new
-    end
-  end
-end
+require 'csv'
+require 'unitwise'
+
+module Eulim
+  module Chemistry
+    # This class has functionality for elements
+    # Ex: symbol, atomic mass, atomic number
+    class Element
+      attr_accessor :atomic_mass, :symbol, :name, :atomic_number
+
+      ATTRS = %w[symbol name atomic_number atomic_mass].freeze
+      # Data taken from 'www.science.co.il/elements/'
+      ELEMENTS = []
+
+      def initialize(arg)
+        @name = arg[1]
+        @symbol = arg[0]
+        @atomic_number = arg[2].to_i
+        @atomic_mass = Unitwise(arg[3].to_f, 'u')
+      end
+
+      CSV.foreach(File.join(File.dirname(__FILE__), 'elements.csv'), headers: true) do |row|
+        ELEMENTS << new(row)
+      end
+
+      private_class_method def self.method_missing(m, *args)
+        attribute = m.to_s.split('get_by_').last
+        valid_method? m, attribute
+        raise 'please give argument' if args.empty?
+        args[0] = attribute == 'name' ? args[0].capitalize : args[0]
+        element_data = get_element_by_attribute attribute, args[0]
+        raise 'Element not found' unless element_data
+        element_data
+      end
+
+      private_class_method def self.get_element_by_attribute(attribute, value)
+        ELEMENTS.each do |element|
+          # elements value of attribute == value give by user
+          return element if
+            element.instance_variable_get(('@' + attribute).intern) == value
+        end
+        raise(NameError, 'element not found')
+      end
+
+      private_class_method def self.valid_method?(m, attribute)
+        super unless m.to_s.start_with?('get_by_')
+        raise(NameError, 'Invalid attribute') unless ATTRS.include? attribute
+      end
+
+      private_class_method :new
+    end
+  end
+end