chemistry_paradise 1.3.1

data/lib/chemistry_paradise/base/base.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/base/base.rb'; < ::ChemistryParadise::Base 
+# =========================================================================== #
+require 'chemistry_paradise/base/colours.rb'
+
+module ChemistryParadise
+
+class Base # === ChemistryParadise::Base
+
+  require 'chemistry_paradise/project/project.rb'
+
+  require 'chemistry_paradise/constants/constants.rb'
+  include ChemistryParadise::Constants
+
+  require 'chemistry_paradise/toplevel_methods/roebe.rb'
+  require 'chemistry_paradise/toplevel_methods/language.rb'
+  require 'chemistry_paradise/constants/german_names_of_elements_to_element_symbol.rb'
+
+  require 'chemistry_paradise/shared.rb'
+  include ChemistryParadise::Shared
+
+  alias ee print
+
+  # ========================================================================= #
+  # === NAMESPACE
+  # ========================================================================= #
+  NAMESPACE = inspect
+
+  # ========================================================================= #
+  # === FILE_MOLECULAR_FORMULA_OF_DIFFERENT_MOLECULES
+  # ========================================================================= #
+  FILE_MOLECULAR_FORMULA_OF_DIFFERENT_MOLECULES =
+    "#{PROJECT_BASE_DIRECTORY}yaml/molecular_formula_of_different_molecules.yml"
+
+  # ========================================================================= #
+  # === reset                                                     (reset tag)
+  # ========================================================================= #
+  def reset
+    # ======================================================================= #
+    # === @be_verbose
+    # ======================================================================= #
+    @be_verbose = true
+  end
+
+  # ========================================================================= #
+  # === initialize_the_internal_hash
+  # ========================================================================= #
+  def initialize_the_internal_hash
+    # ======================================================================= #
+    # === @internal_hash
+    # ======================================================================= #
+    @internal_hash = {}
+  end
+
+  # ========================================================================= #
+  # === internal_hash?
+  # ========================================================================= #
+  def internal_hash?
+    @internal_hash
+  end; alias internal_hash internal_hash? # === internal_hash
+
+  # ========================================================================= #
+  # === opnn
+  # ========================================================================= #
+  def opnn(i)
+    if i.is_a? String
+      i = { namespace: i }
+    end
+    Opn.opn(i) # Delegate to module Opn here.
+  end
+
+  # ========================================================================= #
+  # === use_which_language?
+  # ========================================================================= #
+  def use_which_language?
+    ::ChemistryParadise.use_which_language?
+  end
+
+  # ========================================================================= #
+  # === do_we_use_english?
+  #
+  # Query method to determine whether we will use english or whether
+  # we will use another language, for a project-wide setting.
+  # ========================================================================= #
+  def do_we_use_english?
+    (use_which_language? == :english)
+  end
+
+  # ========================================================================= #
+  # === set_commandline_arguments
+  # ========================================================================= #
+  def set_commandline_arguments(i = '')
+    i = [i].flatten.compact
+    @commandline_arguments = i
+  end
+
+  # ========================================================================= #
+  # === commandline_arguments?
+  # ========================================================================= #
+  def commandline_arguments?
+    @commandline_arguments
+  end
+
+  # ========================================================================= #
+  # === first_argument?
+  # ========================================================================= #
+  def first_argument?
+    @commandline_arguments.first
+  end; alias first? first_argument? # === first?
+
+  # ========================================================================= #
+  # === do_use_the_german_language
+  # ========================================================================= #
+  def do_use_the_german_language
+    ::ChemistryParadise.do_use_german
+  end
+
+  # ========================================================================= #
+  # === do_use_the_english_language
+  # ========================================================================= #
+  def do_use_the_english_language
+    ::ChemistryParadise.do_use_english
+  end
+
+  # ========================================================================= #
+  # === cliner
+  #
+  # This variant will return rather than output/display.
+  # ========================================================================= #
+  def cliner
+    '=' * 80
+  end
+
+  # ========================================================================= #
+  # === cd                                                           (cd tag)
+  # ========================================================================= #
+  def cd(i)
+    Dir.chdir(i)
+  end
+
+  # ========================================================================= #
+  # === esystem                                                  (system tag)
+  # ========================================================================= #
+  def esystem(
+      i,
+      silence_output_from_system = false,
+      &block
+    )
+    yielded = nil
+    if block_given?
+      yielded = yield
+    end
+    case yielded
+    # ======================================================================= #
+    # === :be_quiet
+    # ======================================================================= #
+    when :be_quiet
+    else # This is the default.
+      puts i
+    end
+    case silence_output_from_system
+    # ======================================================================= #
+    # === :silence_output_from_system
+    # ======================================================================= #
+    when :silence_output_from_system
+      silence_output_from_system = true
+    end
+    if silence_output_from_system
+      # system i, out: File::NULL
+      `#{i} 2>&1`
+    else
+      system i
+    end
+  end
+
+  # ========================================================================= #
+  # === is_on_roebe?
+  # ========================================================================= #
+  def is_on_roebe?
+    ChemistryParadise.is_on_roebe?
+  end
+
+  # ========================================================================= #
+  # === namespace?
+  # ========================================================================= #
+  def namespace?
+    @namespace
+  end
+
+  # ========================================================================= #
+  # === set_be_verbose
+  # ========================================================================= #
+  def set_be_verbose
+    @be_verbose = true
+  end
+
+  # ========================================================================= #
+  # === be_quiet
+  # ========================================================================= #
+  def be_quiet
+    @be_verbose = false
+  end; alias be_silent    be_quiet # === be_silent
+       alias set_be_quiet be_quiet # === set_be_quiet
+
+  # ========================================================================= #
+  # === be_verbose?
+  # ========================================================================= #
+  def be_verbose?
+    @be_verbose
+  end; alias be_verbose be_verbose? # === be_verbose
+
+end; end

data/lib/chemistry_paradise/base/colours.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/base/colours.rb' 
+# =========================================================================== #
+module ChemistryParadise
+
+class Base # === ChemistryParadise::Base
+
+  begin
+    require 'colours'
+    include Colours
+  rescue LoadError; end
+
+  # ========================================================================= #
+  # === rev
+  # ========================================================================= #
+  def rev
+    ::Colours.rev
+  end
+
+  # ========================================================================= #
+  # === sfancy
+  # ========================================================================= #
+  def sfancy(i = '')
+    ::Colours.sfancy(i)
+  end
+
+  # ========================================================================= #
+  # === grey
+  # ========================================================================= #
+  def grey(i = '')
+    "#{::Colours::GREY}#{i}#{Colours}#{rev}"
+  end
+
+  # ========================================================================= #
+  # === steelblue
+  # ========================================================================= #
+  def steelblue(i = '')
+    ::Colours.steelblue(i)
+  end
+
+  # ========================================================================= #
+  # === yellow
+  # ========================================================================= #
+  def yellow(i = '')
+    ::Colours.yellow(i)
+  end
+
+  # ========================================================================= #
+  # === teal
+  # ========================================================================= #
+  def teal(i = '')
+    ::Colours.teal(i)
+  end
+
+  # ========================================================================= #
+  # === tomato
+  # ========================================================================= #
+  def tomato(i = '')
+    ::Colours.tomato(i)
+  end
+
+  # ========================================================================= #
+  # === royalblue
+  # ========================================================================= #
+  def royalblue(i = '')
+    ::Colours.royalblue(i)
+  end
+
+  # ========================================================================= #
+  # === mediumpurple
+  # ========================================================================= #
+  def mediumpurple(i = '')
+    ::Colours.mediumpurple(i)
+  end
+
+  # ========================================================================= #
+  # === olivedrab
+  # ========================================================================= #
+  def olivedrab(i = '')
+    ::Colours.olivedrab(i)
+  end
+
+  # ========================================================================= #
+  # === gold
+  # ========================================================================= #
+  def gold(i = '')
+    ::Colours.olivedrab(i)
+  end
+
+end; end

data/lib/chemistry_paradise/commandline/help.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/commandline/help.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+class ParseCommandline < ::ChemistryParadise::Base 
+
+  # ========================================================================= #
+  # === show_help
+  #
+  # The help options can be queried via:
+  #
+  #   chemistry_paradise --help
+  #
+  # ========================================================================= #
+  def show_help
+    e 'The following options are documented:'
+    e
+    e '  --molmassen?                     # show '\
+      'where the molmasses are kept (a file)'
+    e '  --electronegativity-of=F/Fe      # report '\
+      'the electronegativitiy of the elements F '\
+      'and Fe (Fluor and Iron)'
+    e '  --show_electron_negativity_chart # show '\
+      'the electron negativity chart of the atoms'
+    e '  --gtk-calculate-molecular-weight # to start '\
+      'the ruby-gtk3 wrapper for calculating the '\
+      'weight of compounds'
+    e '  /Quecksilber/                    # use '\
+      'a pseudo-regex to obtain the element-symbol '\
+      'from a german name'
+    e '  ^^^ the above // is called a pseudo-regex; pseudo '\
+      'because it is actually a String and not a regex'
+    e
+  end
+
+end; end

data/lib/chemistry_paradise/commandline/menu.rb

@@ -0,0 +1,88 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::ParseCommandline
+# =========================================================================== #
+# require 'chemistry_paradise/commandline/menu.rb'
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+
+module ChemistryParadise
+
+class ParseCommandline < ::ChemistryParadise::Base # === ChemistryParadise::ParseCommandline
+
+  require 'chemistry_paradise/toplevel_methods/display_where_the_molmasses_are_kept.rb'
+  require 'chemistry_paradise/toplevel_methods/show_electron_negativity_chart.rb'
+  require 'chemistry_paradise/utility_scripts/show_electron_negativity_of_this_element.rb'
+
+  # ========================================================================= #
+  # === menu                                                       (menu tag)
+  # ========================================================================= #
+  def menu(
+      i = @commandline
+    )
+    if i.is_a? Array
+      i.each {|entry| menu(entry) }
+    else
+      case i
+      # ===================================================================== #
+      # === chemistry_paradise --gtk-calculate-molecular-weight
+      # ===================================================================== #
+      when /^-?-?gtk(_|-)?calculate(_|-)?molecular(_|-)?weight$/i
+        require 'chemistry_paradise/gui/gtk3/calculate_molecular_weight/calculate_molecular_weight.rb'
+        ChemistryParadise::GUI::Gtk::CalculateMolecularWeight.run
+        exit
+      # ===================================================================== #
+      # === chemistry_paradise --periodic-table
+      # ===================================================================== #
+      when /^-?-?periodic(_|-)?table$/i
+        show_the_periodic_table
+        exit
+      # ===================================================================== #
+      # === chemistry_paradise --electronegativity-of=F/Fe
+      # ===================================================================== #
+      when /-?-?electronegativity(_|-)?of=(.+)/
+        these_elements = $2.to_s.dup.strip
+        if these_elements.include? '/'
+          these_elements = these_elements.split('/')
+        end
+        ChemistryParadise::ShowElectronNegativityOfThisElement.new(these_elements)
+      # ===================================================================== #
+      # === chemistry_paradise show_electron_negativity_chart
+      # ===================================================================== #
+      when /show(_|-)?electron(_|-)?negativity(_|-)?chart/
+        show_electron_negativity_chart
+      # ===================================================================== #
+      # === chemistry_paradise test_which_molecules?
+      # ===================================================================== #
+      when /test(_|-)?which(_|-)?molecules\??/
+        pp ARRAY_TEST_THESE_MOLECULES
+      # ===================================================================== #
+      # === chemistry_paradise --molmassen?
+      # ===================================================================== #
+      when /molmassen\??/,
+           /display(_|-)?molmassen(_|-)?file/,
+           /display(_|-)?where(_|-)?the(_|-)?molmasses(_|-)?are(_|-)?kept/
+        ::ChemistryParadise.display_where_the_molmasses_are_kept
+      # ===================================================================== #
+      # === chemistry_paradise --help
+      # ===================================================================== #
+      when /^-?-?help/
+        show_help
+      else
+        if i.start_with?('/') and i.end_with?('/')
+          # ================================================================= #
+          # Assume this to be a pseudo-regex.
+          # ================================================================= #
+          search_for_this_element = i.delete('/').capitalize
+          _ = ChemistryParadise.return_element_symbol_from_this_german_name(search_for_this_element)
+          if _
+            e simp(search_for_this_element)+' corresponds to '+sfancy(_)+'.'
+          end
+        end
+      end
+    end
+  end; alias check_against_menu menu # === check_against_menu
+
+end; end

data/lib/chemistry_paradise/commandline/parse_commandline.rb

@@ -0,0 +1,94 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::ParseCommandline
+#
+# Use this class in order to parse the commandline.
+# =========================================================================== #
+# require 'chemistry_paradise/commandline/parse_commandline.rb'
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+require 'chemistry_paradise/commandline/menu.rb'
+require 'chemistry_paradise/commandline/help.rb'
+
+module ChemistryParadise
+
+class ParseCommandline < ::ChemistryParadise::Base # === ChemistryParadise::ParseCommandline
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(
+      optional_input = ARGV,
+      run_already    = true
+    )
+    set_commandline(optional_input)
+    reset
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === reset
+  # ========================================================================= #
+  def reset
+    super()
+  end
+
+  # ========================================================================= #
+  # === show_the_periodic_table
+  # ========================================================================= #
+  def show_the_periodic_table
+    _ = ::ChemistryParadise.periodic_table?
+    if File.exist? _
+      YAML.load_file(_).each_pair {|key, value|
+        e '  '+(key.to_s+ ':').ljust(3)+' '+value.to_s.rjust(2)
+      }
+    end
+  end
+
+  # ========================================================================= #
+  # === set_commandline
+  # ========================================================================= #
+  def set_commandline(i)
+    i = [i] unless i.is_a? Array
+    @commandline = i
+  end
+
+  # ========================================================================= #
+  # === run
+  # ========================================================================= #
+  def run
+    menu
+  end
+
+  # ========================================================================= #
+  # === berechne_atomgewicht
+  # ========================================================================= #
+  def berechne_atomgewicht(i)
+    pp i
+    if i.is_a? Array
+      i.flatten.each {|entry|
+        berechne_atomgewicht(i)
+      }
+    else
+      if i == :test_default_molecules
+        i = ARRAY_TEST_THESE_MOLECULES
+      end
+      if i.is_a? Array
+        berechne_atomgewicht(i)
+      else
+        e sprintf(
+          'The mass number of %-4s is %3s',
+          i,
+          ChemistryParadise::CalculateAtomicMass.new(i).result.to_s
+        )
+      end
+    end
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::ParseCommandline.new(ARGV)
+end

data/lib/chemistry_paradise/constants/constants.rb

@@ -0,0 +1,77 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/constants/constants.rb'
+# =========================================================================== #
+require 'yaml'
+require 'chemistry_paradise/constants/file_constants.rb'
+
+module ChemistryParadise
+
+module Constants # include ChemistryParadise::Constants
+
+  # ========================================================================= #
+  # === N
+  # ========================================================================= #
+  N = "\n"
+
+  # ========================================================================= #
+  # === ELECTRON_NEGATIVITY_CHART
+  # ========================================================================= #
+  if File.exist? FILE_ELECTRON_NEGATIVITY_CHART
+    ELECTRON_NEGATIVITY_CHART = YAML.load_file(FILE_ELECTRON_NEGATIVITY_CHART)
+  else
+    ELECTRON_NEGATIVITY_CHART = nil
+  end
+
+  # ========================================================================= #
+  # === electron_negativity_chart?
+  # ========================================================================= #
+  def electron_negativity_chart?
+    ELECTRON_NEGATIVITY_CHART
+  end
+
+  # ========================================================================= #
+  # === SPEED_OF_LIGHT
+  #
+  # The speed of light, in m / sec.
+  #
+  # You can refer to this constant in your ruby scripts too:
+  #   c = ChemistryParadise::Constants::SPEED_OF_LIGHT
+  # ========================================================================= #
+  SPEED_OF_LIGHT = 299_792_458
+
+  # ========================================================================= #
+  # === PLANK_CONSTANT
+  #
+  #   h = ChemistryParadise::Constants::PLANK_CONSTANT
+  # ========================================================================= #
+  PLANK_CONSTANT = 6.62607004 * (10 ** -34)
+
+  # ========================================================================= #
+  # === PROPER_FILLORDER
+  # ========================================================================= #
+  PROPER_FILLORDER = %w(
+    1s
+    2s
+    2p
+    3s  
+    3p 
+    4s 
+    3d 
+    4p 
+    5s 
+    4d 
+    5p 
+    6s
+    4f
+    5d
+    6p
+    7s
+    5f      
+    6d 
+    7p
+  )
+
+end; end

data/lib/chemistry_paradise/constants/file_constants.rb

@@ -0,0 +1,33 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/constants/file_constants.rb'
+# =========================================================================== #
+require 'chemistry_paradise/project/project.rb'
+
+module ChemistryParadise
+
+module Constants # === ChemistryParadise::Constants
+
+  # ========================================================================= #
+  # === FILE_ELECTRON_NEGATIVITY_CHART
+  #
+  # bl $RUBY_SRC/chemistry_paradise/lib/chemistry_paradise/yaml/electron_negativity_chart.yml
+  # ========================================================================= #
+  FILE_ELECTRON_NEGATIVITY_CHART =
+    "#{PROJECT_BASE_DIRECTORY}yaml/electron_negativity_chart.yml"
+
+  # ========================================================================= #
+  # === FILE_ATOMGEWICHTE
+  # ========================================================================= #
+  FILE_ATOMGEWICHTE =
+    "#{PROJECT_BASE_DIRECTORY}yaml/atomgewichte.yml"
+
+  # ========================================================================= #
+  # === ChemistryParadise::Constants::FILE_PERIODIC_TABLE_OF_THE_ELEMENTS
+  # ========================================================================= #
+  FILE_PERIODIC_TABLE_OF_THE_ELEMENTS =
+    "#{PROJECT_BASE_DIRECTORY}yaml/periodic_table_of_the_elements.yml"
+
+end; end