chemistry_paradise 1.4.2

data/lib/chemistry_paradise/show_electron_configuration.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::ShowElectronConfiguration
+#
+# Feed this class an element as input, such as Ca or Fe, and it will
+# display the electron configuration of said element.
+#
+# Usage examples:
+#
+#   ChemistryParadise::ShowElectronConfiguration.new(ARGV)
+#
+# =========================================================================== #
+# require 'chemistry_paradise/show_electron_configuration.rb'
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+
+module ChemistryParadise
+
+class ShowElectronConfiguration < Base # === ChemistryParadise::ShowElectronConfiguration
+
+  # ========================================================================= #
+  # === DEFAULT_INPUT
+  # ========================================================================= #
+  DEFAULT_INPUT = 'Ca'
+
+  # ========================================================================= #
+  # === NEBENQUANTENZAHL
+  # ========================================================================= #
+  NEBENQUANTENZAHL = {
+    's' =>  2, 
+    'p' =>  6,
+    'd' => 10,
+    'f' => 14
+  }
+
+  # ========================================================================= #
+  # 1. Periode: 1s
+  # 2. Periode: 2s 2p
+  # 3. Periode: 3s 3p
+  # 4. Periode: 4s 3d 4p
+  # 5. Periode: 5s 4d 5p
+  # 6. Periode: 6s 4f 5d 6p
+  # 7. Periode: 7s 5f 6d
+  # ========================================================================= #
+  # The following hash was taken from:
+  #
+  #   https://en.wikipedia.org/wiki/Electron_configuration#Other_exceptions_to_Madelung.27s_rule
+  #
+  # and from:
+  #
+  #   https://en.wikipedia.org/wiki/Electron_configurations_of_the_elements_%28data_page%29
+  #
+  # ========================================================================= #
+  MAIN_HASH = {
+     1 => '1s¹',
+     2 => '1s²',
+     3 => '1s² 2s¹',
+     4 => '1s² 2s²',
+     5 => '1s² 2s² 2p¹',         #  (5) Bor
+     6 => '1s² 2s² 2p²',         #  (6) Kohlenstoff
+     7 => '1s² 2s² 2p³',         #  (7) Stickstoff
+     8 => '1s² 2s² 2p⁴',         #  (8) Sauerstoff 
+     9 => '1s² 2s² 2p⁵',         #  (9) Fluor
+    10 => '1s² 2s² 2p⁶',         # (10) Neon
+    11 => '1s² 2s² 2p⁶ 3s¹',     # (11) Sodium
+    12 => '1s² 2s² 2p⁶ 3s²',     # (12) Magnesium
+    13 => '1s² 2s² 2p⁶ 3s² 3p¹', # (13) Aluminium
+    14 => '1s² 2s² 2p⁶ 3s² 3p²', # (14) Silicon
+    15 => '1s² 2s² 2p⁶ 3s² 3p³', # (15) Phosphorus
+    16 => '1s² 2s² 2p⁶ 3s² 3p⁴', # (16) Sulfur
+    17 => '1s² 2s² 2p⁶ 3s² 3p⁵', # (17) Chlorine
+    18 => '1s² 2s² 2p⁶ 3s² 3p⁶', # (18) Arsen
+    19 => '1s² 2s² 2p⁶ 3s² 3p⁶', # (19) Potassium
+    20 => '[Ar] 4s²',            # (20) Calcium
+    21 => '[Ar] 4s² 3d¹',        # (21) Scandium
+    22 => '[Ar] 4s² 3d²',        # (22) Titanium
+    23 => '[Ar] 4s² 3d³',        # (23) Vanadium
+    24 => '[Ar] 4s¹ 3d⁵',        # (24) Chromium
+    25 => '[Ar] 4s² 3d⁵',        # (25) Manganese
+    26 => '[Ar] 4s² 3d⁶',        # (26) Iron
+    27 => '[Ar] 4s² 3d⁷',        # (27) Cobalt
+    28 => '[Ar] 4s² 3d⁸',        # (28) Nickel 
+    29 => '[Ar] 4s¹ 3d¹⁰',       # (29) Copper
+    30 => '[Ar] 4s² 3d¹⁰',       # (30) Zinc
+    31 => '[Ar] 3d¹⁰ 4s² 4p¹',   # (31) Gallium
+    32 => '[Ar] 3d¹⁰ 4s² 4p²',   # (32) Germanium
+    33 => '[Ar] 3d¹⁰ 4s² 4p³',   # (33) Arsenic
+    34 => '[Ar] 3d¹⁰ 4s² 4p⁴',   # (34) Selenium
+    35 => '[Ar] 3d¹⁰ 4s² 4p⁵',   # (35) Bromine
+    36 => '[Ar] 3d¹⁰ 4s² 4p⁶',   # (36) Krypton
+    37 => '[Kr] 5s¹',            # (37) Rubidium
+    38 => '[Kr] 5s²',            # (38) Strontium
+    39 => '[Kr] 4d¹ 5s²',        # (39) Yttrium
+    40 => '[Kr] 4d² 5s²',        # (40) Zirconium
+    41 => '[Kr] 4d⁴ 5s¹',        # (41) Niobium
+    42 => '[Kr] 4d⁵ 5s¹',        # (42) Molybdenum 
+    43 => '[Kr] 4d⁵ 5s²',       # (43) Technetium
+    44 => '[Kr] 4d⁷ 5s¹',        # (44) Ruthenium
+    45 => '[Kr] 4d⁸ 5s¹',        # (45) Rhodium
+    46 => '[Kr] 4d¹⁰',           # (46) Palladium
+    47 => '[Kr] 4d¹⁰ 5s¹',       # (47) Silver
+    48 => '[Kr] 4d¹⁰ 5s²',       # (48) Cadmium
+    49 => '[Kr] 4d¹⁰ 5s² 5p¹',   # (49) Indium
+    50 => '[Kr] 4d¹⁰ 5s² 5p²',   # (50) Tin
+    51 => '[Kr] 4d¹⁰ 5s² 5p³',   # (51) Antimony
+    52 => '[Kr] 4d¹⁰ 5s² 5p⁴',   # (52) Tellurium
+    53 => '[Kr] 4d¹⁰ 5s² 5p⁵',   # (53) Iodine
+    54 => '[Kr] 4d¹⁰ 5s² 5p⁶',   # (54) Xenon
+    55 => '[Xe] 6s¹',            # (55) Caesium
+  }
+
+  _ = ChemistryParadise::Constants::FILE_PERIODIC_TABLE_OF_THE_ELEMENTS
+
+  # ========================================================================= #
+  # === PERIODIC_TABLE_DATASET
+  # ========================================================================= #
+  PERIODIC_TABLE_DATASET = YAML.load_file(_) if File.exist? _
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(
+      optional_input = nil,
+      run_already    = true
+    )
+    reset
+    set_input(optional_input)
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === reset
+  # ========================================================================= #
+  def reset
+    @n_electrons = 0
+    @_ = '' # The result string.
+  end
+
+  # ========================================================================= #
+  # === set_main_string
+  # ========================================================================= #
+  def set_main_string(i)
+    @_ = i
+  end
+
+  # ========================================================================= #
+  # === set_input
+  # ========================================================================= #
+  def set_input(i = N)
+    i = i.first if i.is_a? Array
+    i = DEFAULT_INPUT if i.nil?
+    i = i.to_s.dup.delete('/') # We don't need '/' characters.
+    i = periodic_table?.invert[i.to_i] if i =~ /^\d+$/
+    # ======================================================================= #
+    # Since as of June 2016, we will upcase the first character.
+    # ======================================================================= #
+    i = i.dup if i.frozen?
+    i[0,1] = i[0,1].upcase
+    @input = i
+  end
+
+  # ========================================================================= #
+  # === set_n_electrons
+  # ========================================================================= #
+  def set_n_electrons(i)
+    @n_electrons = i
+  end
+
+  # ========================================================================= #
+  # === periodic_table?
+  # ========================================================================= #
+  def periodic_table?
+    PERIODIC_TABLE_DATASET
+  end
+
+  # ========================================================================= #
+  # === default_colour
+  # ========================================================================= #
+  def default_colour
+    Colours::GREY
+  end
+
+  # ========================================================================= #
+  # === main_hash?
+  # ========================================================================= #
+  def main_hash?
+    MAIN_HASH
+  end
+
+  # ========================================================================= #
+  # === check_for_inclusion
+  # ========================================================================= #
+  def check_for_inclusion
+    if periodic_table?.has_key? @input
+      set_n_electrons periodic_table?[@input]
+      e rev+
+        'Found element '+sfancy(@input)+'. '+
+        'It has '+simp(@n_electrons.to_s)+' electrons.'
+      display_electron_configuration(@n_electrons)
+    else
+      e "Did not find element called `#{sfancy(@input)}`."
+    end
+  end
+
+  # ========================================================================= #
+  # === display_electron_configuration
+  #
+  # Show the specific electron configuration.
+  #
+  # For instance:
+  #
+  #   1s2 2s2 2p6 3s2 3p4
+  #
+  # ========================================================================= #
+  def display_electron_configuration(
+      i = @n_electrons
+    )
+    # ======================================================================= #
+    # Notify the user of invalid input.
+    # ======================================================================= #
+    unless main_hash?.has_key? i
+      e 'Note that the electron at position '+i.to_s+
+        ' is not registered.'
+    end
+    set_main_string MAIN_HASH[i]
+    # ======================================================================= #
+    # Output it next:
+    # ======================================================================= #
+    e yellow(@_)
+  end
+
+  # ========================================================================= #
+  # === run                                                         (run tag)
+  # ========================================================================= #
+  def run
+    check_for_inclusion
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  include ChemistryParadise
+  if ARGV.first
+    ShowElectronConfiguration.new(ARGV.first)
+  else
+    ShowElectronConfiguration.new(ARGV)
+  end
+end # $RUBY_CHEMISTRY/show_electron_configuration.rb

data/lib/chemistry_paradise/show_element.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::ShowElement
+#
+# Input should be something like this:
+#
+#   show_element 'Xe+5'
+#
+# Usage example:
+#
+#   ChemistryParadise::ShowElement.new(ARGV)
+#
+# =========================================================================== #
+# require 'show_element'
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+
+module ChemistryParadise
+
+class ShowElement < ::ChemistryParadise::Base # === ChemistryParadise::ShowElement
+
+  # ========================================================================= #
+  # === NAMESPACE
+  # ========================================================================= #
+  NAMESPACE = inspect
+
+  # ========================================================================= #
+  # === PERIODIC_TABLE
+  # ========================================================================= #
+  PERIODIC_TABLE = YAML.load_file(ChemistryParadise::Constants::FILE_PERIODIC_TABLE_OF_THE_ELEMENTS)
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(
+      i           = nil,
+      run_already = true
+    )
+    reset
+    set_input(i)
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === reset                                                     (reset tag)
+  # ========================================================================= #
+  def reset
+    set_name_of_the_element
+    set_relative_position
+  end
+
+  # ========================================================================= #
+  # === set_input
+  # ========================================================================= #
+  def set_input(i = '')
+    i = i.first if i.is_a? Array
+    i = i.to_s.dup if i
+    @input = i
+    process_input
+  end
+
+  # ========================================================================= #
+  # === set_relative_position
+  # ========================================================================= #
+  def set_relative_position(i = 0)
+    i = i.to_i if i
+    @relative_position = i
+  end
+
+  # ========================================================================= #
+  # === process_input
+  # ========================================================================= #
+  def process_input
+    if    @input.include? '+'
+      set_batch('+')
+    elsif @input.include? '-'
+      set_batch('-')
+    else
+      set_name_of_the_element(@input)
+    end
+  end
+
+  # ========================================================================= #
+  # === set_batch
+  #
+  # This will set both (1) the name and (2) the relative position.
+  # ========================================================================= #
+  def set_batch(on_which_token = '+')
+    _ = @input.split(on_which_token)
+    set_name_of_the_element _[0]
+    _[1] = '-'+_[1].to_s if on_which_token == '-'
+    set_relative_position   _[1]
+  end
+
+  # ========================================================================= #
+  # === new_position?
+  # ========================================================================= #
+  def new_position?
+    @relative_position
+  end
+
+  # ========================================================================= #
+  # === report_result
+  # ========================================================================= #
+  def report_result
+    current_position = PERIODIC_TABLE[@name_of_the_element]
+    current_position = current_position + new_position?
+    opnn; e PERIODIC_TABLE.invert[current_position]+' is at position '+
+            sfancy(current_position.to_s)+'.'
+  end
+
+  # ========================================================================= #
+  # === set_name_of_the_element
+  # ========================================================================= #
+  def set_name_of_the_element(i = nil)
+    # ======================================================================= #
+    # if the input is a number, we invert the PERIODIC_TABLE.
+    # ======================================================================= #
+    if i =~ /^\d+$/
+      i = PERIODIC_TABLE.invert[i.to_i]
+    end
+    @name_of_the_element = i
+  end
+
+  # ========================================================================= #
+  # === run
+  # ========================================================================= #
+  def run # (run tag)
+    report_result
+  end
+
+  # ========================================================================= #
+  # === opnn
+  # ========================================================================= #
+  def opnn
+    super(NAMESPACE)
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::ShowElement.new(ARGV)
+end # show_element 'Xe+5'

data/lib/chemistry_paradise/sinatra/sinatra.rb

@@ -0,0 +1,131 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/sinatra/sinatra.rb'
+# =========================================================================== #
+require 'sinatra/base.rb'
+
+module ChemistryParadise
+
+class Sinatra < ::Sinatra::Base
+
+  require 'chemistry_paradise/toplevel_methods/misc.rb'
+  require 'chemistry_paradise/utility_scripts/calculate_atomic_mass.rb'
+
+  begin
+    require 'open'
+  rescue LoadError; end
+
+  begin
+    require 'colours'
+    include Colours
+  rescue LoadError; end
+
+  begin
+    require 'html_tags'
+    include HtmlTags::BaseModule
+  rescue LoadError; end
+
+  # ========================================================================= #
+  # === USE_THIS_PORT
+  # ========================================================================= #
+  USE_THIS_PORT = '4567'
+
+  set :port, USE_THIS_PORT
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize
+    super()
+    reset
+    if ::ChemistryParadise.is_on_roebe?
+      require 'open'
+      # ===================================================================== #
+      # Tell us which port will be used:
+      # ===================================================================== #
+      target = "http://localhost:#{USE_THIS_PORT}/"
+      e sfancy(target)
+      Thread.new {
+        Open.in_browser(target) {{ delay: '1.0 seconds' }}
+      }
+    end
+  end
+
+  # ========================================================================= #
+  # === reset
+  # ========================================================================= #
+  def reset
+  end
+
+  # ========================================================================= #
+  # === return_default_header_and_title
+  # ========================================================================= #
+  def return_default_header_and_title
+    '<html><title>'\
+    'ChemistryParadise Web-API'\
+    '</title><body>'
+  end
+
+  # =========================================================================== #
+  # === /compound
+  #
+  # Usage Examples:
+  #
+  #   http://localhost:4567/compound/H2SO4
+  #
+  # =========================================================================== #
+  get('/compound/*'){
+    _ = params[:splat]
+    _ = _.first if _.is_a? Array
+    return_default_header_and_title+
+    p(
+      'Mass of '+_.to_s+': <b>'+
+      ChemistryParadise.compound_mass?(_).to_s+' ame</b>'
+    )+
+    '</body></html>'
+  }
+  # =========================================================================== #
+  # === /compound
+  # =========================================================================== #
+  get('/compound'){
+    return_default_header_and_title+
+    p(
+      'Please provide an argument to <b>compound/</b>.'
+    )+
+    '</body></html>'
+  }
+
+  # =========================================================================== #
+  # === /
+  #
+  # Usage Examples:
+  #
+  #   http://localhost:4567/
+  #
+  # =========================================================================== #
+  get('/'){
+    return_default_header_and_title+
+    p(
+      "Available components:<br>\n"+
+      '<a href="compound/">compound/</a>'
+    )+
+    '</body></html>'
+  }
+
+end
+
+# =========================================================================== #
+# === ChemistryParadise.start_sinatra_interface
+# =========================================================================== #
+def self.start_sinatra_interface
+  puts 'Trying to start the sinatra-interface of ChemistryParadise next.'
+  ::ChemistryParadise::Sinatra.run!
+end
+
+end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise.start_sinatra_interface
+end # bioroebe --sinatra

data/lib/chemistry_paradise/sinatra/wetter/app.rb

@@ -0,0 +1,68 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::Wetter::Sinatra
+# =========================================================================== #
+# require 'chemistry_paradise/sinatra/wetter/app.rb'
+# =========================================================================== #
+require 'sinatra/base.rb'
+require 'chemistry_paradise/base/base.rb'
+
+module ChemistryParadise
+
+class Wetter < ::ChemistryParadise::Base # === ChemistryParadise::Wetter
+
+class Sinatra < Sinatra::Base # === ChemistryParadise::Wetter::Sinatra
+
+  require 'chemistry_paradise/wetter/wetter.rb'
+
+  include Colours
+
+  require 'chemistry_paradise/www/wetter/embeddable_interface.rb'
+  include ChemistryParadise::Wetter::EmbeddableInterface
+
+  # ========================================================================= #
+  # === USE_THIS_PORT
+  # ========================================================================= #
+  USE_THIS_PORT = '4569'
+
+  set :port, USE_THIS_PORT
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize
+    super()
+    reset
+    if ::ChemistryParadise.is_on_roebe?
+      require 'open'
+      # ===================================================================== #
+      # Tell us which port will be used:
+      # ===================================================================== #
+      target = "http://localhost:#{USE_THIS_PORT}/"
+      Cyberweb.try_to_open_this_URL_via_the_browser(target, USE_THIS_PORT)
+    end
+  end
+
+  # ========================================================================= #
+  # === reset
+  # ========================================================================= #
+  def reset
+  end
+
+  # ========================================================================= #
+  # === / Entry point -> http://localhost:4569/
+  #
+  # This is the root of our web-application.
+  # ========================================================================= #
+  get('/') {
+    return_root_string
+  }
+
+end; end; end
+
+if __FILE__ == $PROGRAM_NAME
+  require 'wetter/www/start_sinatra_interface.rb'
+  ChemistryParadise::Wetter.start_sinatra_interface
+end # wetter --sinatra

data/lib/chemistry_paradise/sinatra/wetter/start_sinatra_interface.rb

@@ -0,0 +1,31 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::Wetter
+# =========================================================================== #
+# require 'chemistry_paradise/sinatra/wetter/start_sinatra_interface.rb'
+# =========================================================================== #
+require 'chemistry_paradise/sinatra/wetter/app.rb'
+require 'chemistry_paradise/base/base.rb'
+
+module ChemistryParadise
+
+class Wetter < ::ChemistryParadise::Base # === ChemistryParadise::Wetter
+
+  require 'cyberweb/toplevel_methods/misc.rb'
+  # ========================================================================= #
+  # === ChemistryParadise::Wetter.start_sinatra_interface
+  #
+  # This method can be used to start the sinatra interface.
+  # ========================================================================= #
+  def self.start_sinatra_interface
+    puts 'Trying to start the sinatra-interface for class Wetter next.'
+    ::ChemistryParadise::Wetter::Sinatra.run!
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::Wetter.start_sinatra_interface
+end