chemistry_paradise 1.4.2

data/lib/chemistry_paradise/interactive_chemistry_shell.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::InteractiveChemistryShell
+#
+# Usage examples:
+#
+#   ChemistryParadise::InteractiveChemistryShell.new
+#
+# =========================================================================== #
+# require 'chemistry/interactive_chemistry_shell'
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+
+begin
+  require 'readline'
+rescue LoadError; end
+
+module ChemistryParadise
+
+class InteractiveChemistryShell < Base # === ChemistryParadise::InteractiveChemistryShell
+
+  require 'chemistry_paradise/utility_scripts/calculate_atomic_mass.rb'
+
+  # ========================================================================= #
+  # === PROMPT
+  # ========================================================================= #
+  PROMPT = '> '
+  if File.exist? Shared.periodic_table?
+    PERIODIC_TABLE = YAML.load_file(Shared.periodic_table?)
+  else
+    PERIODIC_TABLE = nil
+  end
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(run_already = true)
+    reset
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === reset
+  # ========================================================================= #
+  def reset
+    @lpad = '  '
+  end
+
+  # ========================================================================= #
+  # === show_welcome_message
+  # ========================================================================= #
+  def show_welcome_message
+    e 'Welcome to the InteractiveChemistryShell.'
+    e 'Input "help" to get a list of options, otherwise'
+    e 'just type in your input now.'
+    print PROMPT
+  end
+
+  # ========================================================================= #
+  # === report_input
+  # ========================================================================= #
+  def report_input(i)
+    ewarn 'Input was: `'+sfancy(i)+'`'
+  end
+
+  # ========================================================================= #
+  # === show_welcome_message_and_help
+  # ========================================================================= #
+  def show_welcome_message_and_help
+    show_welcome_message
+    show_help
+  end
+
+  # ========================================================================= #
+  # === calculate
+  #
+  # To test this, do:
+  #   calc C3H5
+  # ========================================================================= #
+  def calculate(i)
+    if i.nil?
+      e 'Please provide proper input to this method now, for instance, `C12H12N2`:'
+      i = $stdin.gets.chomp
+    end
+    CalculateAtomicMass.new(i)
+  end; alias calc calculate # === calc
+
+  # ========================================================================= #
+  # === check_against_menu
+  # ========================================================================= #
+  def check_against_menu
+    _ = @user_input # We can use this now.
+    arguments = nil # Default to denote that we have no arguments.
+    if _.include? ' '
+      splitted = _.split(' ')
+      _ = splitted[0] # Reassign here to the first entry.
+      arguments = splitted[1..-1]
+    end
+    case _ # case tag
+    # ======================================================================= #
+    # === quit
+    # ======================================================================= #
+    when 'quit','exit','q'
+      e 'Bye from the InteractiveChemistryShell.'
+      exit
+    # ======================================================================= #
+    # === show_electron_negativity_chart
+    # ======================================================================= #
+    when '4','show_electron_negativity_chart'
+      ChemistryParadise.show_electron_negativity_chart
+    # ======================================================================= #
+    # === periodic_table?
+    # ======================================================================= #
+    when '3','periodic_table?','show_periodic_table','top','top?',
+         'periodic?','periodic','showperiodictable'
+      show_periodic_table
+    # ======================================================================= #
+    # === help
+    # ======================================================================= #
+    when /-?-?help/,'hel','he','h','?'
+      show_help
+    when '1','calc','calculate'
+      calculate(arguments)
+    when '2','show'
+      e 'Input your element symbol now:'
+      element_symbol = $stdin.gets.chomp
+      ShowElectronConfiguration.new(element_symbol)
+    when '' # pass through
+    else
+      # To test the following, try:
+      #   454 g NH4NO3
+      if @user_input.include?('g') and @user_input =~ /\d+/
+        splitted = @user_input.strip.split('g').map(&:strip)
+        atomic_mass = ChemistryParadise::CalculateAtomicMass[splitted.last].to_f
+        n_times = splitted.first.strip.to_i
+        mass = n_times / atomic_mass
+        e (mass.round(2)).to_s+' mol'
+      else
+        report_input(_)
+        show_help
+      end
+    end
+  end
+
+  # ========================================================================= #
+  # === ecomment
+  # ========================================================================= #
+  def ecomment(i)
+    Colours.ecomment(i)
+  end
+
+  # ========================================================================= #
+  # === run_loop
+  # ========================================================================= #
+  def run_loop
+    loop {
+      fetch_user_input # Get user input first.
+      check_against_menu
+    }
+  end
+
+  # ========================================================================= #
+  # === run                                                         (run tag)
+  # ========================================================================= #
+  def run
+    show_welcome_message_and_help # Show the help section on startup.
+    run_loop
+  end
+
+  # ========================================================================= #
+  # === show_help
+  # ========================================================================= #
+  def show_help # help tag
+    e 'Available options:'
+    e
+    # ======================================================================= #
+    # Add more documented help-options to this Array here.
+    # ======================================================================= #
+    array = [
+      'calculate the atomic mass',
+      'show the electron configuration of an Element',
+      'show the periodic table',
+      'show electron negativity chart'
+    ]
+    array.each_with_index {|entry, index|
+      index += 1
+      ecomment @lpad+index.to_s+' # '+entry
+    }
+  end
+
+  # ========================================================================= #
+  # === has_readline?
+  # ========================================================================= #
+  def has_readline?
+    Object.const_defined? :Readline
+  end
+
+  # ========================================================================= #
+  # === fetch_user_input
+  # ========================================================================= #
+  def fetch_user_input
+    if has_readline?
+      @user_input = Readline.readline('', true)
+    else
+      @user_input = $stdin.gets.chomp
+    end
+  end
+
+  # ========================================================================= #
+  # === show_periodic_table
+  # ========================================================================= #
+  def show_periodic_table
+    e # Add a newline.
+    inverted = PERIODIC_TABLE.invert
+    1.upto(7).each {|periode|
+      range = return_range_for_this_period(periode)
+      # ===================================================================== #
+      # Now we have a proper range.
+      # ===================================================================== #
+      matches = inverted.select {|index_position, value|
+        range.include? index_position
+      }
+      ee colourize_via_kde_konsole(periode.to_s)+': ' # Display the periode here.
+      matches.each_pair {|key, value|
+        ee simp(value)+' ('+key.to_s+') '
+      }; e
+    }
+  end
+
+  # ========================================================================= #
+  # === colourize_via_kde_konsole
+  # ========================================================================= #
+  def colourize_via_kde_konsole(i)
+    if Object.const_defined? :Colours
+      i = ::Colours.lightgreen(i)
+    end
+    return i
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::InteractiveChemistryShell.new
+end # ichem

data/lib/chemistry_paradise/project/project.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/project/project.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === PROJECT_BASE_DIRECTORY
+  #
+  # The constant must have a trailing '/' character.
+  # ========================================================================= #
+  PROJECT_BASE_DIRECTORY =
+    File.absolute_path("#{__dir__}/..")+'/'
+
+  # ========================================================================= #
+  # === ChemistryParadise.project_base_directory?
+  # ========================================================================= #
+  def self.project_base_directory?
+    PROJECT_BASE_DIRECTORY
+  end; self.instance_eval { alias project_base_dir? project_base_directory? } # === ChemistryParadise.project_base_dir?
+
+end

data/lib/chemistry_paradise/requires/common_external_requires.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/requires/common_external_requires.rb'
+# =========================================================================== #
+require 'yaml'
+begin
+  require 'colours'
+rescue LoadError; end
+begin
+  require 'opn'
+rescue LoadError; end
+
+begin
+  require 'cliner'
+rescue LoadError; end

data/lib/chemistry_paradise/requires/require_the_project.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/requires/require_the_project.rb'
+# =========================================================================== #
+require 'chemistry_paradise/show_electron_configuration.rb'
+require 'chemistry_paradise/commandline/parse_commandline.rb'
+require 'chemistry_paradise/utility_scripts/calculate_atomic_mass.rb'
+require 'chemistry_paradise/utility_scripts/combustion_analysis.rb'
+require 'chemistry_paradise/utility_scripts/equation_solver.rb'
+require 'chemistry_paradise/utility_scripts/equalize_chemical_formula.rb'
+require 'chemistry_paradise/utility_scripts/orbitals.rb'
+require 'chemistry_paradise/utility_scripts/show_electron_negativity_of_this_element.rb' 
+
+require 'chemistry_paradise/toplevel_methods/atomgewichte.rb'
+require 'chemistry_paradise/toplevel_methods/misc.rb'
+require 'chemistry_paradise/toplevel_methods/remove_this_molecule_from.rb'
+require 'chemistry_paradise/toplevel_methods/show_electron_negativity_chart.rb'
+
+require 'chemistry_paradise/wetter/wetter.rb'

data/lib/chemistry_paradise/requires/require_the_project_including_the_graphical_user_interface.rb

@@ -0,0 +1,7 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/requires/require_the_project_including_the_graphical_user_interface.rb'
+# =========================================================================== #
+require 'chemistry_paradise/gui/gtk3/wetter/wetter.rb'

data/lib/chemistry_paradise/requires/require_the_project_including_the_web_interface.rb

@@ -0,0 +1,4 @@
+# =========================================================================== #
+# require 'chemistry_paradise/requires/require_the_project_including_the_web_interface.rb'
+# =========================================================================== #
+require 'chemistry_paradise/www/wetter/embeddable_interface.rb'

data/lib/chemistry_paradise/shared.rb

@@ -0,0 +1,130 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::Shared
+#
+# To load this file, do:
+#
+#   require 'chemistry_paradise/shared.rb'
+#
+# =========================================================================== #
+require 'chemistry_paradise/requires/common_external_requires.rb'
+
+module ChemistryParadise # include ChemistryParadise::Shared
+
+module Shared # === ChemistryParadise::Shared
+
+  require 'chemistry_paradise/constants/constants.rb'
+  require 'chemistry_paradise/version/version.rb'
+  require 'chemistry_paradise/toplevel_methods/convert_parens.rb'
+  require 'chemistry_paradise/toplevel_methods/periodic_table.rb'
+
+  include ChemistryParadise::Constants
+
+  # ========================================================================= #
+  # === ARRAY_TEST_THESE_MOLECULES
+  #
+  # Test these molecules. Default values.
+  # ========================================================================= #
+  ARRAY_TEST_THESE_MOLECULES = %w(
+    NH3
+    NH4
+    MnO2
+    P2O5
+    H2O
+    Pb3O4
+    H2SO4
+    C12H12N2
+    BaCO3
+    PbCrO4
+    Al2(SO4)3
+    Ca(OH)2
+    CH3COOH
+    C12H22O11
+  )
+
+  # ========================================================================= #
+  # === is_number?
+  #
+  # This method will return true if is a number, else false. For this it
+  # uses the .to_i method trick, which returns 0 for non-numbers.
+  # ========================================================================= #
+  def is_number?(i)
+    result = (i.to_i.to_s == i)
+    return result
+  end
+
+  # ========================================================================= #
+  # === square
+  #
+  # Die Wurzel aus 2 ist 1.414
+  #
+  #   chem; square 2; sqr 3; sqr 4; sqr 5; sqr 6; sqr 7; sqr 8; sqr 9
+  #
+  # ========================================================================= #
+  def square(of)
+    Math.sqrt of
+  end; alias sqr square # === sqr
+
+  # ========================================================================= #
+  # === periodic_table?
+  # ========================================================================= #
+  def periodic_table?
+    return Shared.periodic_table?
+  end
+
+  # ========================================================================= #
+  # === ChemistryParadise::Shared.periodic_table?
+  # ========================================================================= #
+  def self.periodic_table?
+    ::ChemistryParadise.periodic_table?
+  end
+
+  # ========================================================================= #
+  # === return_range_for_this_period
+  #
+  # This method will tell us the legal range of elements for any given
+  # period.
+  #
+  # The formula would be:
+  #
+  #   2+4n
+  #
+  # For instance:
+  #   period 1 will return (1..2).
+  #   period 2 will return (3..8).
+  # ========================================================================= #
+  def return_range_for_this_period(this_period = 1)
+    case this_period
+    when 1
+      (1..2)
+    when 2
+      (3..10)
+    when 3
+      (11..18)
+    when 4
+      (19..36)
+    when 5
+      (37..54)
+    when 6
+      (55..86)
+    when 7
+      (87..118)
+    end
+  end
+
+  # ========================================================================= #
+  # === convert_parens
+  # ========================================================================= #
+  def convert_parens(i)
+    ChemistryParadise.convert_parens(i)
+  end; alias parse convert_parens # === parse
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  include ChemistryParadise::Shared
+  pp convert_parens 'Al2(SO4)3'
+  pp convert_parens 'Fe(OH)3 + H2SO4 -> Fe2(SO4)3 + H2O'
+end # rb shared.rb