ilm 0.0.1

checksums.yaml

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+---
+SHA256:
+  metadata.gz: 4c67e12299f88a4bb312a67bd7bb37a1d1b829fc93ffdeb4d87acc826eae8fcb
+  data.tar.gz: 5434f80608d68863df2fd4e5a8be083a076c825d7a09947b040edfd862a69527
+SHA512:
+  metadata.gz: 801f05d4c616bad30cc1cbb9e4bc3b00742de17574f0e4c9af4a547ae25ae0ade896f99619d548f3a3139915dff847fc547f0d72972a4e54103d63ef259b2f16
+  data.tar.gz: 56dbc9694e76f33333f97bb3bf5cb2c55a131943494d6ecd5371f1a3058fa7c5c6472cf0c2163b8eb8cc6d2f267c260c08a228023ff1c45ee117400d3f586fde

data/.gitignore

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+/.bundle/
+/.yardoc
+/Gemfile.lock
+/_yardoc/
+/coverage/
+/doc/
+/pkg/
+/spec/reports/
+/tmp/
+
+# rspec failure tracking
+.rspec_status

data/.rspec

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+--format documentation
+--color

data/.travis.yml

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+sudo: false
+language: ruby
+rvm:
+  - 2.3.1
+before_install: gem install bundler -v 1.14.6

data/CODE_OF_CONDUCT.md

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+# Contributor Covenant Code of Conduct
+
+## Our Pledge
+
+In the interest of fostering an open and welcoming environment, we as
+contributors and maintainers pledge to making participation in our project and
+our community a harassment-free experience for everyone, regardless of age, body
+size, disability, ethnicity, gender identity and expression, level of experience,
+nationality, personal appearance, race, religion, or sexual identity and
+orientation.
+
+## Our Standards
+
+Examples of behavior that contributes to creating a positive environment
+include:
+
+* Using welcoming and inclusive language
+* Being respectful of differing viewpoints and experiences
+* Gracefully accepting constructive criticism
+* Focusing on what is best for the community
+* Showing empathy towards other community members
+
+Examples of unacceptable behavior by participants include:
+
+* The use of sexualized language or imagery and unwelcome sexual attention or
+advances
+* Trolling, insulting/derogatory comments, and personal or political attacks
+* Public or private harassment
+* Publishing others' private information, such as a physical or electronic
+  address, without explicit permission
+* Other conduct which could reasonably be considered inappropriate in a
+  professional setting
+
+## Our Responsibilities
+
+Project maintainers are responsible for clarifying the standards of acceptable
+behavior and are expected to take appropriate and fair corrective action in
+response to any instances of unacceptable behavior.
+
+Project maintainers have the right and responsibility to remove, edit, or
+reject comments, commits, code, wiki edits, issues, and other contributions
+that are not aligned to this Code of Conduct, or to ban temporarily or
+permanently any contributor for other behaviors that they deem inappropriate,
+threatening, offensive, or harmful.
+
+## Scope
+
+This Code of Conduct applies both within project spaces and in public spaces
+when an individual is representing the project or its community. Examples of
+representing a project or community include using an official project e-mail
+address, posting via an official social media account, or acting as an appointed
+representative at an online or offline event. Representation of a project may be
+further defined and clarified by project maintainers.
+
+## Enforcement
+
+Instances of abusive, harassing, or otherwise unacceptable behavior may be
+reported by contacting the project team at fazil.basheer@quester.xyz. All
+complaints will be reviewed and investigated and will result in a response that
+is deemed necessary and appropriate to the circumstances. The project team is
+obligated to maintain confidentiality with regard to the reporter of an incident.
+Further details of specific enforcement policies may be posted separately.
+
+Project maintainers who do not follow or enforce the Code of Conduct in good
+faith may face temporary or permanent repercussions as determined by other
+members of the project's leadership.
+
+## Attribution
+
+This Code of Conduct is adapted from the [Contributor Covenant][homepage], version 1.4,
+available at [http://contributor-covenant.org/version/1/4][version]
+
+[homepage]: http://contributor-covenant.org
+[version]: http://contributor-covenant.org/version/1/4/

data/Gemfile

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+source 'https://rubygems.org'
+
+# Specify your gem's dependencies in ilm.gemspec
+gemspec

data/LICENSE

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+MIT License
+
+Copyright (c) 2017 syedfazilbasheer-quester
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

data/LICENSE.txt

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+The MIT License (MIT)
+
+Copyright (c) 2017 syedfazilbasheer-quester
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in
+all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+THE SOFTWARE.

data/README.md

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+# Ilm
+Ilm is a Ruby gem for Chemistry, which supports the calculation of molecular mass of compound, balancing chemical equations and efficient handling of states of chemical species.
+
+We aim to make Ilm easy to use, fast and accurate chemistry library, with complete test coverage.
+
+## Installation
+
+Add this line to your application's Gemfile:
+
+```ruby
+gem 'ilm'
+```
+
+And then execute:
+
+    $ bundle
+
+Or install it yourself as:
+
+    $ gem install ilm
+
+## Modules
+
+* Structrues
+* Chemistry
+
+### Structures
+* Pipe
+
+### Chemistry
+
+* Element
+* Compound
+* Reaction
+
+#### 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, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa, U, Np, Pu, Am, Cm, Bk, Cf, Es, Fm, Md, No, Lr, Rf, Db, Sg, Bh, Hs, Mt,
+* attributes: symbol, name, atomic_number, atomic_mass
+* methods: get_by_* (* can be any of the attributes)
+
+#### Compound
+
+* attributes: formula, molecular_mass, constituents
+* methods: new('compound formula')
+
+### Reaction
+
+* attributes: equation, is_valid, is_balanced, species, balanced_eqn
+* methods: new(equation: "Put your reaction string here", rate_equation: "r_{CaCo3} = k[CaO]")
+* For eg: (equation: '2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)', rate_equation: "rNa = k[HCl]")
+
+## Usage
+```bash
+$ Ilm::Chemistry::Element.get_by_symbol "H"
+=> #<Ilm::Chemistry::Element:0x000000025e5ab8 @name="Hydrogen", @symbol="H", @atomic_number=1, @atomic_mass=#<Unitwise::Measurement value=1.0079 unit=u>>
+
+$ Ilm::Chemistry::Element.get_by_atomic_number 12
+=> #<Ilm::Chemistry::Element:0x00000002c87560 @name="Magnesium", @symbol="Mg", @atomic_number=12, @atomic_mass=#<Unitwise::Measurement value=24.305 unit=u>>
+
+$ Ilm::Chemistry::Element.get_by_name "helium" # or "Helium"
+=> #<Ilm::Chemistry::Element:0x00000002ca66e0 @name="Helium", @symbol="He", @atomic_number=2, @atomic_mass=#<Unitwise::Measurement value=4.002602 unit=u>>
+
+$ Ilm::Chemistry::Compound.new("CaCO3")
+=> #<Ilm::Chemistry::Compound:0x00000002a65340 @formula="CaCO3", @constituents={"Ca"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c805a8 @name="Calcium", @symbol="Ca", @atomic_number=20, @atomic_mass=#<Unitwise::Measurement value=40.078 unit=u>>, :atom_count=>1}, "C"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c8f6e8 @name="Carbon", @symbol="C", @atomic_number=6, @atomic_mass=#<Unitwise::Measurement value=12.0107 unit=u>>, :atom_count=>1}, "O"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c8dc30 @name="Oxygen", @symbol="O", @atomic_number=8, @atomic_mass=#<Unitwise::Measurement value=15.9996 unit=u>>, :atom_count=>3}}, @molecular_mass=#<Unitwise::Measurement value=100.0875 unit=u>>
+
+$ Ilm::Chemistry::Reaction.new(equation: 'KMnO4 + HCl >> KCl + MnCl2 + H2O + Cl2').balanced_eqn
+ => "2KMnO4 + 16HCl >> 2KCl + 2MnCl2 + 8H2O + 5Cl2"
+
+$ Ilm::Chemistry::Reaction.new(equation: '2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)').equation
+ => "2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)" 
+ 
+$ Ilm::Chemistry::Reaction.new(equation: '2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)').is_valid
+=> true 
+ 
+$ Ilm::Chemistry::Reaction.new(equation: '2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)').is_balanced
+=> true 
+ 
+$ Ilm::Chemistry::Reaction.new(equation: '2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)').species
+=> {:reactants=>{"Na"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002ca6910 @formula="Na", @constituents={"Na"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c88e10 @name="Sodium", @symbol="Na", @atomic_number=11, @atomic_mass=#<Unitwise::Measurement value=22.9897 unit=u>>, :atom_count=>1}}, @molecular_mass=#<Unitwise::Measurement value=22.9897 unit=u>>, :stoichiometry=>2, :state=>"solid"}, "HCl"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002c90ed0 @formula="HCl", @constituents={"H"=>{:element=>#<Ilm::Chemistry::Element:0x000000025e5ab8 @name="Hydrogen", @symbol="H", @atomic_number=1, @atomic_mass=#<Unitwise::Measurement value=1.0079 unit=u>>, :atom_count=>1}, "Cl"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c82c90 @name="Chlorine", @symbol="Cl", @atomic_number=17, @atomic_mass=#<Unitwise::Measurement value=35.453 unit=u>>, :atom_count=>1}}, @molecular_mass=#<Unitwise::Measurement value=36.4609 unit=u>>, :stoichiometry=>2, :state=>"aqueous"}}, :products=>{"NaCl"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002c73bf0 @formula="NaCl", @constituents={"Na"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c88e10 @name="Sodium", @symbol="Na", @atomic_number=11, @atomic_mass=#<Unitwise::Measurement value=22.9897 unit=u>>, :atom_count=>1}, "Cl"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c82c90 @name="Chlorine", @symbol="Cl", @atomic_number=17, @atomic_mass=#<Unitwise::Measurement value=35.453 unit=u>>, :atom_count=>1}}, @molecular_mass=#<Unitwise::Measurement value=58.4427 unit=u>>, :stoichiometry=>2, :state=>"aqueous"}, "H2"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002c34180 @formula="H2", @constituents={"H"=>{:element=>#<Ilm::Chemistry::Element:0x000000025e5ab8 @name="Hydrogen", @symbol="H", @atomic_number=1, @atomic_mass=#<Unitwise::Measurement value=1.0079 unit=u>>, :atom_count=>2}}, @molecular_mass=#<Unitwise::Measurement value=2.0158 unit=u>>, :stoichiometry=>1, :state=>"gaseous"}}}
+
+$ Ilm::Chemistry::Reaction.new(equation: '2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)')
+=> #<Ilm::Chemistry::Reaction:0x00000002ce22f8 @equation="2Na(s) + 2HCl(aq) >> 2NaCl(aq) + H2(g)", @species={:reactants=>{"Na"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002ce1d80 @formula="Na", @constituents={"Na"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c88e10 @name="Sodium", @symbol="Na", @atomic_number=11, @atomic_mass=#<Unitwise::Measurement value=22.9897 unit=u>>, :atom_count=>1}}, @molecular_mass=#<Unitwise::Measurement value=22.9897 unit=u>>, :stoichiometry=>2, :state=>"solid"}, "HCl"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002cabdc0 @formula="HCl", @constituents={"H"=>{:element=>#<Ilm::Chemistry::Element:0x000000025e5ab8 @name="Hydrogen", @symbol="H", @atomic_number=1, @atomic_mass=#<Unitwise::Measurement value=1.0079 unit=u>>, :atom_count=>1}, "Cl"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c82c90 @name="Chlorine", @symbol="Cl", @atomic_number=17, @atomic_mass=#<Unitwise::Measurement value=35.453 unit=u>>, :atom_count=>1}}, @molecular_mass=#<Unitwise::Measurement value=36.4609 unit=u>>, :stoichiometry=>2, :state=>"aqueous"}}, :products=>{"NaCl"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002c8cda8 @formula="NaCl", @constituents={"Na"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c88e10 @name="Sodium", @symbol="Na", @atomic_number=11, @atomic_mass=#<Unitwise::Measurement value=22.9897 unit=u>>, :atom_count=>1}, "Cl"=>{:element=>#<Ilm::Chemistry::Element:0x00000002c82c90 @name="Chlorine", @symbol="Cl", @atomic_number=17, @atomic_mass=#<Unitwise::Measurement value=35.453 unit=u>>, :atom_count=>1}}, @molecular_mass=#<Unitwise::Measurement value=58.4427 unit=u>>, :stoichiometry=>2, :state=>"aqueous"},"H2"=>{:compound=>#<Ilm::Chemistry::Compound:0x00000002c6f938 @formula="H2", @constituents={"H"=>{:element=>#<Ilm::Chemistry::Element:0x000000025e5ab8 @name="Hydrogen", @symbol="H", @atomic_number=1, @atomic_mass=#<Unitwise::Measurement value=1.0079 unit=u>>, :atom_count=>2}}, @molecular_mass=#<Unitwise::Measurement value=2.0158 unit=u>>, :stoichiometry=>1, :state=>"gaseous"}}}, @is_valid=true, @is_balanced=true> 
+```
+## Development
+
+After checking out the repo, run `bin/setup` to install dependencies. Then, run `rake spec` to run the tests. You can also run `bin/console` for an interactive prompt that will allow you to experiment.
+
+To install this gem onto your local machine, run `bundle exec rake install`. To release a new version, update the version number in `version.rb`, and then run `bundle exec rake release`, which will create a git tag for the version, push git commits and tags, and push the `.gem` file to [rubygems.org](https://rubygems.org).
+
+## Contributing
+
+Bug reports and pull requests are welcome on GitHub at https://github.com/syedfazilbasheer-quester/ilm-gem. This project is intended to be a safe, welcoming space for collaboration, and contributors are expected to adhere to the [Contributor Covenant](http://contributor-covenant.org) code of conduct.
+
+
+## License
+
+The gem is available as open source under the terms of the [MIT License](http://opensource.org/licenses/MIT).
+

data/Rakefile

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

data/bin/console

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+#!/usr/bin/env ruby
+
+require 'bundler/setup'
+require 'ilm'
+
+# 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

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+#!/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/ilm.gemspec

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+# coding: utf-8
+
+lib = File.expand_path('../lib', __FILE__)
+$LOAD_PATH.unshift(lib) unless $LOAD_PATH.include?(lib)
+require 'ilm/version'
+
+Gem::Specification.new do |spec|
+  spec.name          = 'ilm'
+  spec.version       = Ilm::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/ilm-labs/ilm'
+  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/ilm-labs/ilm'
+  # 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', '~> 2.0', '>= 2.0.1'
+  spec.add_development_dependency 'rake', '~> 12.3', '>= 12.3.2'
+  spec.add_development_dependency 'rspec', '~> 3.8'
+  spec.add_development_dependency 'rubocop', '~> 0.67.2'
+  spec.add_development_dependency 'rubocop-performance', '~> 1.1'
+  
+  spec.add_dependency             'rubypython', '~> 0.6.4'
+  spec.add_dependency             'unitwise', '~>2.2'
+end

data/lib/class_overrides.rb

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+# Custom enhancements
+class Class
+  def humanized_name
+    to_s.split('::').last.humanize
+  end
+end

data/lib/ilm.rb

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+require_relative 'matrix_overrides'
+require_relative 'string_overrides'
+require_relative 'class_overrides'
+require 'unitwise'
+
+# Root module. Everything in the gem goes inside this
+module Ilm
+end
+
+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/ilm/chemical.rb

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+Dir['./lib/ilm/chemical/*.rb'].each { |file| require file }
+module Ilm
+  # This module will contain all chemical engineering related knowledge
+  # Ex: Reactors
+  module Chemical
+  end
+end

data/lib/ilm/chemical/reactors.rb

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+Dir['./lib/ilm/chemical/reactors/*.rb'].each { |file| require file }
+
+module Ilm
+  module Chemical
+    # This module contains knowledge of chemical reactors
+    # Ex: Batch, CSTR, PFR
+    module Reactors
+    end
+  end
+end

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

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+require_relative 'reactor'
+
+module Ilm
+  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/ilm/chemical/reactors/continuous_stirred_tank_reactor.rb

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+require_relative 'reactor'
+
+module Ilm
+  module Chemical
+    module Reactors
+      # This class is for cst reactors
+      class ContinuousStirredTankReactor < Reactor
+        def initialize(args = {})
+          super args
+        end
+
+        def find_volume
+          # accumulation is zero
+          compound_formula = @reaction.rate_equation.split(' ').first.split('r').last
+          ci = @input[:substance].species[compound_formula]
+          co = @output[:substance].species[compound_formula]
+          input = @input[:quantity] * ci[:weight_percent] /
+                  (100 * ci[:compound].molar_mass)
+          output = @output[:quantity] * co[:weight_percent] /
+                   (100 * co[:compound].molar_mass)
+          x = (input - output) / input
+        end
+
+        def self.humanized_name
+          'Continuous stirred-tank reactor'
+        end
+      end
+    end
+  end
+end

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

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+require_relative 'reactor'
+
+module Ilm
+  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/ilm/chemical/reactors/reactor.rb

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+module Ilm
+  module Chemical
+    module Reactors
+      # This is the base class for the diff kinds of reactors
+      class Reactor
+        attr_reader :system, :volume, :input, :output, :reaction
+
+        # ATTRS = [:system, :volume, :input, :output, :rate_equation]
+
+        def initialize(args = {})
+          self.system = args[:system]
+          self.volume = args[:volume] if args[:volume]
+          self.input = args[:input] if args[:input]
+          self.output = args[:output] if args[:output]
+          self.reaction = args[:reaction] if args[:reaction]
+        end
+
+        def system=(sys)
+          @system = sys || :open
+        end
+
+        def volume=(vol)
+          @volume = volume_if_valid vol
+        end
+
+        def input=(inp)
+          @input = feed_if_valid inp
+        end
+
+        def output=(out)
+          @output = feed_if_valid out
+        end
+
+        def reaction=(rxn)
+          @reaction = reaction_if_valid rxn
+        end
+
+        private
+
+        def volume_if_valid(vol)
+          begin
+            vol = Unitwise vol
+          rescue
+            raise ArgumentError, 'Invalid volume'
+          end
+          return vol if vol.composition.to_h == { 'L' => 3 }
+
+          raise ArgumentError, 'Invalid volume unit'
+        end
+
+        def feed_if_valid(f)
+          raise ArgumentError, 'Invalid substance' if f[:substance].class != Ilm::Chemistry::Substance
+
+          begin
+            f[:quantity] = Unitwise f[:quantity]
+          rescue
+            raise ArgumentError, 'Invalid quantity'
+          end
+          dim = f[:quantity].composition.to_h
+          return f if valid_feed_quantity_dimensions.include? dim
+
+          raise ArgumentError, 'Invalid quantity unit'
+        end
+
+        def valid_feed_quantity_dimensions
+          [{ 'M' => 1 }, { 'M' => 1, 'T' => -1 }]
+        end
+
+        def reaction_if_valid(r)
+          # raise ArgumentError, 'Substance not in reaction' if
+          #   @input && (
+          #     r.species[:reactants].keys &
+          #     @input[:substance].species.keys
+          #   ).empty?
+          return r if r.class == Ilm::Chemistry::Reaction && r.is_valid
+          raise ArgumentError, 'Invalid reaction argument'
+        end
+      end
+    end
+  end
+end

data/lib/ilm/chemistry.rb

@@ -0,0 +1,8 @@
+Dir['./lib/ilm/chemistry/*.rb'].each { |file| require file }
+
+module Ilm
+  # This module will contain all chemistry related info
+  # Ex: Elements, Compounds, Reactions, etc
+  module Chemistry
+  end
+end

data/lib/ilm/chemistry/compound.rb

@@ -0,0 +1,61 @@
+require 'unitwise'
+
+module Ilm
+  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, :molar_mass
+
+      def initialize(arg)
+        @formula = arg
+        build_constituents
+        calculate_mass
+      end
+
+      private
+
+      def calculate_mass
+        @molecular_mass = Unitwise(0.0, 'u')
+        @constituents.each do |_symbol, info|
+          @molecular_mass += info[:element].atomic_mass * info[:atom_count]
+        end
+        @molar_mass = Unitwise(@molecular_mass.value / 1000.0, 'kg/mol')
+      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/ilm/chemistry/element.rb

@@ -0,0 +1,53 @@
+require 'csv'
+require 'unitwise'
+
+module Ilm
+  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

data/lib/ilm/chemistry/elements.csv

@@ -0,0 +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
+Mt,Meitnerium,109,268

data/lib/ilm/chemistry/reaction.rb

@@ -0,0 +1,156 @@
+module Ilm
+  module Chemistry
+    # This class has functionality for reaction
+    # Ex: check for balanced rxn, validity of a rxn
+    class Reaction
+      attr_accessor :equation, :is_valid, :species, :participants, :balanced_eqn, :rate_equation
+
+      STATES = {
+        '(s)' => 'solid', '(l)' => 'liquid',
+        '(g)' => 'gaseous', '(aq)' => 'aqueous',
+        '' => ''
+      }.freeze
+
+      def initialize(args)
+        # rate_eqn should be of the form: 'r_{CaO} = k[CaO][CO2]'
+        @equation = args[:equation]
+        @species = build_species
+        @is_valid = valid_rxn?
+        participant_elements
+        @balanced_eqn = balance_rxn
+        @rate_equation = validify_rate_eqn args[:rate_equation]
+      end
+
+      private
+
+      def validify_rate_eqn(rate_eqn)
+        if rate_eqn
+          rate_eqn.gsub('_{', '')
+                  .gsub('}', '')
+                  .gsub('[', ' * c')
+                  .gsub(']', '')
+        else
+          specie = @species[:reactants].keys.first
+          'r' + specie + ' = k * c' + specie
+        end
+      end
+
+      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
+
+      def participant_elements
+        participants = []
+        @species[:reactants].keys.each do |r|
+          participants << @species[:reactants][r][:compound].constituents.keys
+        end
+        @participants = participants.flatten.uniq
+      end
+
+      def get_participant_row(parti)
+        row = []
+        @species.keys.each do |key|
+          i = key == :reactants ? 1 : -1
+          @species[key].keys.each do |specie|
+            if specie.include? parti
+              row << @species[key][specie][:compound]
+                     .constituents[parti][:atom_count] * i
+            else
+              row << 0
+            end
+          end
+        end
+        row
+      end
+
+      def write_matrix
+        @matrix = Matrix[]
+        @participants.each do |parti|
+          @matrix = Matrix.rows(@matrix.to_a << get_participant_row(parti))
+        end
+        @matrix
+      end
+
+      def balanced_coeff_array
+        write_matrix
+        null_space_array = @matrix.nullspace_array
+        lcm = null_space_array.collect(&:denominator).reduce(1, :lcm)
+        null_space_array.collect { |x| (x * lcm).to_i }
+      end
+
+      def balance_rxn
+        exp = ''
+        i = 0
+        bal_coeff = balanced_coeff_array
+        @species.keys.each do |key|
+          @species[key].keys.each do |comp|
+            coeff = bal_coeff[i] == 1 ? ' ' : ' ' + bal_coeff[i].abs.to_s
+            state = STATES.key(@species[key][comp][:state])
+            exp = exp + coeff + comp + state + ' +'
+            i += 1
+          end
+          exp = key == :reactants ? exp.chomp('+') + '>>' : exp.chomp('+')
+        end
+        exp.strip
+      end
+    end
+  end
+end

data/lib/ilm/chemistry/substance.rb

@@ -0,0 +1,18 @@
+module Ilm
+  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/ilm/structures.rb

@@ -0,0 +1,6 @@
+module Ilm
+  # This module will contain all physical structures
+  # Ex: pipes, sheets, walls, bridges, etc
+  module Structures
+  end
+end

data/lib/ilm/structures/pipe.rb

@@ -0,0 +1,13 @@
+module Ilm
+  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/ilm/structures/structure.rb

@@ -0,0 +1,12 @@
+module Ilm
+  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

data/lib/ilm/version.rb

@@ -0,0 +1,3 @@
+module Ilm
+  VERSION = '0.0.1'.freeze
+end

data/lib/matrix_overrides.rb

@@ -0,0 +1,22 @@
+require 'rubypython'
+require 'matrix'
+
+# this class is extension of Matrix class offered by ruby
+class Matrix
+  def nullspace_as_string
+    a = to_a
+    RubyPython.start
+    main = RubyPython.import('__main__')
+    RubyPython::Python.PyRun_SimpleString <<-PYTHON
+from sympy import Matrix
+import numpy as np
+def null_space(a):
+  return np.array_str(np.array(Matrix(a).nullspace()))
+    PYTHON
+    main.null_space(a).rubify
+  end
+
+  def nullspace_array
+    nullspace_as_string[2..-3].split(' ').map(&:to_r)
+  end
+end

data/lib/string_overrides.rb

@@ -0,0 +1,16 @@
+# Custom enhancements
+class String
+  def underscore
+    gsub(/::/, '/')
+      .gsub(/([A-Z]+)([A-Z][a-z])/, '\1_\2')
+      .gsub(/([a-z\d])([A-Z])/, '\1_\2')
+      .tr('-', '_')
+      .downcase
+  end
+
+  def humanize(options = { capitalize: true })
+    s = underscore.tr('_', ' ')
+    s = s.capitalize if options[:capitalize]
+    s
+  end
+end

metadata

@@ -0,0 +1,187 @@
+--- !ruby/object:Gem::Specification
+name: ilm
+version: !ruby/object:Gem::Version
+  version: 0.0.1
+platform: ruby
+authors:
+- Syed Fazil Basheer
+- Somesh Choudhary
+autorequire: 
+bindir: exe
+cert_chain: []
+date: 2019-04-19 00:00:00.000000000 Z
+dependencies:
+- !ruby/object:Gem::Dependency
+  name: bundler
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '2.0'
+    - - ">="
+      - !ruby/object:Gem::Version
+        version: 2.0.1
+  type: :development
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '2.0'
+    - - ">="
+      - !ruby/object:Gem::Version
+        version: 2.0.1
+- !ruby/object:Gem::Dependency
+  name: rake
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '12.3'
+    - - ">="
+      - !ruby/object:Gem::Version
+        version: 12.3.2
+  type: :development
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '12.3'
+    - - ">="
+      - !ruby/object:Gem::Version
+        version: 12.3.2
+- !ruby/object:Gem::Dependency
+  name: rspec
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '3.8'
+  type: :development
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '3.8'
+- !ruby/object:Gem::Dependency
+  name: rubocop
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: 0.67.2
+  type: :development
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: 0.67.2
+- !ruby/object:Gem::Dependency
+  name: rubocop-performance
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '1.1'
+  type: :development
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '1.1'
+- !ruby/object:Gem::Dependency
+  name: rubypython
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: 0.6.4
+  type: :runtime
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: 0.6.4
+- !ruby/object:Gem::Dependency
+  name: unitwise
+  requirement: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '2.2'
+  type: :runtime
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    requirements:
+    - - "~>"
+      - !ruby/object:Gem::Version
+        version: '2.2'
+description: A gem for scientific data.
+email:
+- fazil.basheer@quester.xyz
+- c.somesh5@gmail.com
+executables: []
+extensions: []
+extra_rdoc_files: []
+files:
+- ".gitignore"
+- ".rspec"
+- ".travis.yml"
+- CODE_OF_CONDUCT.md
+- Gemfile
+- LICENSE
+- LICENSE.txt
+- README.md
+- Rakefile
+- bin/console
+- bin/setup
+- ilm.gemspec
+- lib/class_overrides.rb
+- lib/ilm.rb
+- lib/ilm/chemical.rb
+- lib/ilm/chemical/reactors.rb
+- lib/ilm/chemical/reactors/batch_reactor.rb
+- lib/ilm/chemical/reactors/continuous_stirred_tank_reactor.rb
+- lib/ilm/chemical/reactors/plug_flow_reactor.rb
+- lib/ilm/chemical/reactors/reactor.rb
+- lib/ilm/chemistry.rb
+- lib/ilm/chemistry/compound.rb
+- lib/ilm/chemistry/element.rb
+- lib/ilm/chemistry/elements.csv
+- lib/ilm/chemistry/reaction.rb
+- lib/ilm/chemistry/substance.rb
+- lib/ilm/structures.rb
+- lib/ilm/structures/pipe.rb
+- lib/ilm/structures/structure.rb
+- lib/ilm/version.rb
+- lib/matrix_overrides.rb
+- lib/string_overrides.rb
+homepage: https://github.com/ilm-labs/ilm
+licenses:
+- MIT
+metadata: {}
+post_install_message: 
+rdoc_options: []
+require_paths:
+- lib
+required_ruby_version: !ruby/object:Gem::Requirement
+  requirements:
+  - - ">="
+    - !ruby/object:Gem::Version
+      version: '0'
+required_rubygems_version: !ruby/object:Gem::Requirement
+  requirements:
+  - - ">="
+    - !ruby/object:Gem::Version
+      version: '0'
+requirements: []
+rubygems_version: 3.0.1
+signing_key: 
+specification_version: 4
+summary: A gem for scientific data.
+test_files: []