chemistry_paradise 1.1.26

data/lib/chemistry_paradise/gui/shared_code/show_periodic_table/show_periodic_table_module.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::GUI::Gtk::ShowPeriodicTableModule
+#
+# If you need to determine the currently selected (active) element
+# then you could use the method .active_element?().
+# =========================================================================== #
+# require 'chemistry_paradise/gui/shared_code/show_periodic_table/show_periodic_table_module.rb'
+# include ::ChemistryParadise::GUI::Gtk::ShowPeriodicTableModule
+# =========================================================================== #
+module ChemistryParadise
+
+module GUI
+
+module Gtk
+
+module ShowPeriodicTableModule # === ChemistryParadise::GUI::Gtk::ShowPeriodicTableModule
+
+  begin
+    require 'colours'
+  rescue LoadError; end
+
+  require 'chemistry_paradise/constants/file_constants.rb'
+  require 'chemistry_paradise/toplevel_methods/atomgewichte.rb'
+  require 'chemistry_paradise/utility_scripts/calculate_atomic_mass.rb'
+
+  require 'gtk_paradise/requires/require_the_base_module.rb'
+  include ::Gtk::BaseModule
+
+  # ========================================================================= #
+  # === NAMESPACE
+  # ========================================================================= #
+  NAMESPACE = inspect
+
+  # ========================================================================= #
+  # === TITLE
+  # ========================================================================= #
+  TITLE = 'Show Periodic Table'
+
+  # ========================================================================= #
+  # === FILE_ATOMGEWICHTE
+  # ========================================================================= #
+  FILE_ATOMGEWICHTE = ChemistryParadise::Constants::FILE_ATOMGEWICHTE
+
+  # ========================================================================= #
+  # === WIDTH
+  # ========================================================================= #
+  WIDTH = 1020
+
+  # ========================================================================= #
+  # === HEIGHT
+  # ========================================================================= #
+  HEIGHT = 500
+
+  # ========================================================================= #
+  # === USE_THIS_FONT
+  # ========================================================================= #
+  USE_THIS_FONT = :dejavu_condensed_20
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(
+      optional_file = nil,
+      run_already   = true
+    )
+    super(:vertical)
+    reset
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === reset                                                     (reset tag)
+  # ========================================================================= #
+  def reset
+    reset_the_internal_variables
+    # ======================================================================= #
+    # === @configuration
+    # ======================================================================= #
+    @configuration = [true, __dir__, NAMESPACE]
+    # ======================================================================= #
+    # === @title
+    # ======================================================================= #
+    @title  = TITLE
+    # ======================================================================= #
+    # === @width
+    # ======================================================================= #
+    set_width(WIDTH)
+    # ======================================================================= #
+    # === @height
+    # ======================================================================= #
+    set_height(HEIGHT)
+    set_use_this_font(USE_THIS_FONT)
+    use_gtk_paradise_project_css_file
+    infer_the_size_automatically
+  end
+
+  # ========================================================================= #
+  # === padding?
+  # ========================================================================= #
+  def padding?
+    0
+  end
+
+  # ========================================================================= #
+  # === border_size?
+  # ========================================================================= #
+  def border_size?
+    0
+  end
+
+  # ========================================================================= #
+  # === create_skeleton                                          (create tag)
+  # ========================================================================= #
+  def create_skeleton
+  end
+
+  # ========================================================================= #
+  # === return_the_dataset_from_the_file_atomgewichte
+  # ========================================================================= #
+  def return_the_dataset_from_the_file_atomgewichte(
+      use_this_file = ::ChemistryParadise.file_atomgewichte
+    )
+    YAML.load_file(use_this_file) if File.exist? use_this_file
+  end
+
+  # ========================================================================= #
+  # === run                                                         (run tag)
+  # ========================================================================= #
+  def run
+    create_skeleton_then_connect_skeleton
+  end
+
+  # ========================================================================= #
+  # === active_button?
+  #
+  # This method will return the currently selected, active button.
+  # ========================================================================= #
+  def active_button?
+    return_all_toggle_buttons.select {|another_button|
+      another_button.active?
+    }
+  end; alias active? active_button? # === active?
+
+  # ========================================================================= #
+  # === return_random_html_colour
+  # ========================================================================= #
+  def return_random_html_colour
+    ::Colours.random_html_colour
+  end
+
+  # ========================================================================= #
+  # === return_colour_based_on_index
+  # ========================================================================= #
+  def return_colour_based_on_index(i)
+    case i
+    when 0 .. 10
+      :darkseagreen
+    when 11 .. 20
+      :cornsilk
+    when 21 .. 30
+      :lightgreen
+    when 31 .. 40
+      :skyblue
+    when 41 .. 50
+      :yellow
+    when 51 .. 60
+      :steelblue
+    when 61 .. 70
+      :magenta
+    else
+      e 'Not handled above 70 right now, but this should be changed '\
+        'eventually. The value was: '+i.to_s
+    end
+  end
+
+  # ========================================================================= #
+  # === clear_the_toggle_state_of_all_buttons_but_this_one
+  #
+  # We invoke this method only when the toggle-button's state is set 
+  # to active.
+  # ========================================================================= #
+  def clear_the_toggle_state_of_all_buttons_but_this_one(
+      this_button
+    )
+    all_toggle_buttons = return_all_toggle_buttons
+    _ = all_toggle_buttons.reject {|another_button|
+      another_button == this_button
+    }
+    _.each {|another_button|
+      another_button.is_inactive
+      another_button.remove_this_css_class('bblack3')
+      another_button.add_this_css_class('bblack2')
+    }
+  end
+
+  # ========================================================================= #
+  # === active_element?
+  #
+  # This method will either return nil, or it will return the String
+  # indicating which element is currently active, such as "Co" for
+  # "Cobalt".
+  # ========================================================================= #
+  def active_element?
+    _ = active_button?
+    if _
+      _ = _.first if _.is_a? Array
+      return _.text?
+    else
+      return _
+    end
+  end
+
+  # ========================================================================= #
+  # === GtkParadise::GUI::Gtk::ShowPeriodicTableModule.run
+  # ========================================================================= #
+  def self.run(
+      i = ARGV
+    )
+    require 'gtk_paradise/run'
+    _ = ::ChemistryParadise::GUI::Gtk::ShowPeriodicTable.new(i)
+    r = ::Gtk.run
+    r << _
+    r.automatic
+    r.top_left_then_run
+  end
+
+  # ========================================================================= #
+  # === connect_skeleton                                        (connect tag)
+  # ========================================================================= #
+  def connect_skeleton
+    abort_on_exception
+    dataset = return_the_dataset_from_the_file_atomgewichte
+    outer_vbox = gtk_vbox
+
+    index = 0
+
+    dataset.each_slice(10).each {|row|
+      hbox = gtk_hbox
+      row.each {|name_of_the_element, molecular_weight|
+        index += 1
+        button = gtk_toggle_button(name_of_the_element)
+        button.clear_background
+        button.bblack2
+        button.set_size_request(84, 84)
+        button.set_width_request(84)
+        button.set_height_request(84)
+        _ = return_random_html_colour
+        button.override_background_colour(
+          return_colour_based_on_index(index)
+        )
+        button.disallow_resizing
+        # =================================================================== #
+        # On click action for the toggle-button, do this:
+        # =================================================================== #
+        button.signal_connect(:button_press_event) {
+          output_the_name_of_this_element_and_this_molecular_weight(
+            name_of_the_element, molecular_weight
+          )
+          @entry1.append_text(name_of_the_element.to_s)
+          calculate_the_weight_for_entry2
+          if button.active?
+            button.remove_this_css_class('bblack2')
+            button.remove_this_css_class('bblack3')
+            clear_the_toggle_state_of_all_buttons_but_this_one(button)
+            button.bblack3
+          end
+        }
+        hbox.minimal(button, 1)
+      }
+      outer_vbox.minimal(hbox, 2)
+    }
+    outer_vbox.set_border_width(20)
+    outer_vbox.minimal(return_lower_widget_containing_the_user_input_entry, 2)
+    maximal(outer_vbox, 15)
+  end
+
+  # ========================================================================= #
+  # === output_the_name_of_this_element_and_this_molecular_weight
+  # ========================================================================= #
+  def output_the_name_of_this_element_and_this_molecular_weight(
+        name_of_the_element,
+        molecular_weight
+      )
+    e name_of_the_element+' '+molecular_weight.to_s+' ame'
+  end
+
+  # ========================================================================= #
+  # === calculate_the_weight_for_entry2
+  # ========================================================================= #
+  def calculate_the_weight_for_entry2
+    _ = @entry1.text?
+    result = ChemistryParadise.atomic_mass_of(_)  
+    @entry2.set_text(result.to_s)
+  end
+
+  # ========================================================================= #
+  # === return_lower_widget_containing_the_user_input_entry
+  # ========================================================================= #
+  def return_lower_widget_containing_the_user_input_entry
+    vbox = gtk_vbox
+    @entry1 = gtk_entry
+    @entry1.bblack1
+    @entry1.center
+    @entry1.on_enter { calculate_the_weight_for_entry2 }
+    @entry1.yellow_background
+    vbox.minimal(@entry1, 2)
+    @entry2 = gtk_entry
+    @entry2.bblack1
+    @entry2.center
+    @entry2.yellow_background
+    vbox.minimal(@entry2, 2)
+    return vbox
+  end
+
+end; end; end; end

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

@@ -0,0 +1,24 @@
+#!/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
+
+end

data/lib/chemistry_paradise/requires/common_external_requires.rb

@@ -0,0 +1,17 @@
+#!/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

@@ -0,0 +1,19 @@
+#!/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'