chemistry_paradise 1.1.1

data/lib/chemistry_paradise/toplevel_methods/display_where_the_molmasses_are_kept.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/display_where_the_molmasses_are_kept.rb'
+# =========================================================================== #
+require 'chemistry_paradise/toplevel_methods/e.rb'
+require 'chemistry_paradise/requires/common_external_requires.rb'
+require 'chemistry_paradise/constants/file_constants.rb'
+
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise.display_where_the_molmasses_are_kept
+  # ========================================================================= #
+  def self.display_where_the_molmasses_are_kept
+    Colours.e(Constants::FILE_ATOMGEWICHTE)
+  end
+
+end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise.display_where_the_molmasses_are_kept  
+end

data/lib/chemistry_paradise/toplevel_methods/e.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/e.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise.e
+  # ========================================================================= #
+  def self.e(i = '')
+    puts i
+  end
+
+end

data/lib/chemistry_paradise/toplevel_methods/kelvin.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/kelvin.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise.kelvin
+  #
+  # This method will output how many Kelvin n Celsius are.
+  #
+  # The temperature T in Kelvin (K) is equal to the temperature T in
+  # degrees Celsius (°C) plus 273.1.
+  #
+  # The formula thus is:
+  #
+  #   T(K) = T(°C) + 273.15
+  #
+  # ========================================================================= #
+  def self.kelvin(n_celsius)
+    if n_celsius.is_a? Array
+      n_celsius = n_celsius.first
+    end
+    n_kelvin = n_celsius.to_f + 273.15
+    return n_kelvin
+  end; self.instance_eval { alias celsius_to_kelvin kelvin } # === ChemistryParadise.celsius_to_kelvin
+
+end
+
+if __FILE__ == $PROGRAM_NAME
+  puts ChemistryParadise.kelvin(ARGV)
+end # kelvin 37

data/lib/chemistry_paradise/toplevel_methods/language.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# This class can help set a different language for the project. By default,
+# the german language is used, but you can call the module-method below,
+# called ChemistryParadise.use_english, to enable english instead.
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/language.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === @use_this_language
+  # ========================================================================= #
+  @use_this_language = :german
+
+  # ========================================================================= #
+  # === ChemistryParadise.set_use_this_language
+  # ========================================================================= #
+  def self.set_use_this_language(i = :german)
+    @use_this_language = i
+  end
+
+  # ========================================================================= #
+  # === ChemistryParadise.use_which_language?
+  # ========================================================================= #
+  def self.use_which_language?
+    @use_this_language
+  end
+
+  # ========================================================================= #
+  # === ChemistryParadise.do_use_english
+  #
+  # Use this method if you want to use the english language.
+  # ========================================================================= #
+  def self.do_use_english
+    set_use_this_language(:english)
+  end; self.instance_eval { alias use_english do_use_english } # === ChemistryParadise.use_english
+
+  # ========================================================================= #
+  # === ChemistryParadise.do_use_german
+  #
+  # Use this method if you want to use the german language.
+  # ========================================================================= #
+  def self.do_use_german
+    set_use_this_language(:german)
+  end; self.instance_eval { alias use_german do_use_german } # === ChemistryParadise.use_german
+
+end

data/lib/chemistry_paradise/toplevel_methods/periodic_table.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/periodic_table.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise.periodic_table?
+  # ========================================================================= #
+  def self.periodic_table?
+    '/Users/x/DATA/SCIENCE/YAML/periodic_table.yml'
+  end
+
+end

data/lib/chemistry_paradise/toplevel_methods/remove_this_molecule_from.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/remove_this_molecule_from.rb'
+# =========================================================================== #
+require 'chemistry_paradise/split_molecule_names.rb'
+
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise.remove_this_molecule_from
+  #
+  # The first argument is the molecule that should be deducted from
+  # the formula.
+  # ========================================================================= #
+  def self.remove_this_molecule_from(
+      this_molecule = 'OH',
+      from          = 'C2H5NO2'
+    )
+    array_big_molecule  = ::ChemistryParadise.split_this_molecular_formula_into_a_hash(from)
+    array_this_molecule = ::ChemistryParadise.split_this_molecular_formula_into_a_hash(this_molecule)
+    # ======================================================================= #
+    # Next, iterate over the small molecule.
+    # ======================================================================= #
+    array_this_molecule.each {|this_compound|
+      unless this_compound =~ /\d+/
+        this_compound << '1' # Must be at the least one.
+      end
+      # ===================================================================== #
+      # Select the entry that is the correct one.
+      # ===================================================================== #
+      this_entry = array_big_molecule.find {|entry|
+        entry[0,1] == this_compound[0,1]
+      }
+      begin
+        n_times_in_the_big_molecule   = /(\d{1,3})/.match(this_entry)[1].to_i
+        n_times_in_the_small_molecule = /(\d{1,3})/.match(this_compound)[1].to_i
+        new_n_times = n_times_in_the_big_molecule - n_times_in_the_small_molecule
+        new_entry = this_compound[0,1]+new_n_times.to_s
+        # ===================================================================== #
+        # Now we have the new entry; we need to re-insert it into the big
+        # original Array.
+        # ===================================================================== #
+        proper_index = array_big_molecule.index {|entry|
+          entry[0,1] == this_compound[0,1]
+        }
+        array_big_molecule[proper_index] = new_entry
+      rescue NoMethodError => error
+        pp error
+      end
+    }
+    return array_big_molecule.join # Join it up again.
+  end
+
+end
+
+if __FILE__ == $PROGRAM_NAME
+  puts 'Deducting OH from C2H5NO2 next:'
+  puts ::ChemistryParadise.remove_this_molecule_from('OH', 'C2H5NO2')  
+  puts 'Deducting H2O from C2H5NO2 next:'
+  puts ::ChemistryParadise.remove_this_molecule_from('H2O', 'C2H5NO2')
+end

data/lib/chemistry_paradise/toplevel_methods/show_electron_negativity_chart.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/toplevel_methods/show_electron_negativity_chart.rb'
+# =========================================================================== #
+require 'chemistry_paradise/constants/constants.rb'
+
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise.show_electron_negativity_chart
+  # ========================================================================= #
+  def self.show_electron_negativity_chart
+    Constants::ELECTRON_NEGATIVITY_CHART.each_pair {|key, value|
+      value = value.to_f
+      value = '%.2f' % value 
+      puts key.ljust(2)+' -> '+value.to_s.rjust(2)
+    }
+  end
+
+end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise.show_electron_negativity_chart
+end

data/lib/chemistry_paradise/verbose_chemical_calculation.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# Purpose of this class is to explain what we are doing in a
+# step-by-step wise fashion.
+#
+# Right now this is a stub.
+# =========================================================================== #
+module ChemistryParadise
+
+class VerboseChemicalCalculation
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize
+e 'This is currently a stub.'
+  end
+
+end; end

data/lib/chemistry_paradise/version/version.rb

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+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# require 'chemistry_paradise/version/version.rb'
+# =========================================================================== #
+module ChemistryParadise
+
+  # ========================================================================= #
+  # === ChemistryParadise::VERSION
+  # ========================================================================= #
+  VERSION = '1.1.1'
+
+  # ========================================================================= #
+  # === LAST_UPDATE
+  # ========================================================================= #
+  LAST_UPDATE = '22.11.2020'
+
+end

data/lib/chemistry_paradise/yaml/atomgewichte.yml

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+# =========================================================================== #
+# Die Atommasse (frueher Atomgewicht) ist die Masse eines Atoms. In dieser
+# Yaml Datei hier beziehen wir uns auf 12 C.
+#
+# Folgende URL wurde herangezogen um die Information zu speichern:
+#
+#   http://old.iupac.org/reports/periodic_table/
+#
+# Genauere Information erhalten wir aber von hier:
+#   http://www.ciaaw.org/
+# =========================================================================== #
+# x = load_yaml(ChemistryParadise.file_atomgewichte)
+# =========================================================================== #
+
+# =========================================================================== #
+# 1. Reihe:
+# =========================================================================== #
+H:   1.0079 # In normalen Kalkulationen ist dies 1.008
+He:  4.0026
+
+# =========================================================================== #
+# 2. Reihe:
+# =========================================================================== #
+Li:   6.941
+Be:   9.0122
+B:   10.811
+C:   12.011
+N:   14.007
+O:   15.999
+F:   18.998
+Ne:  20.180
+
+# =========================================================================== #
+# 3. Reihe:
+# =========================================================================== #
+Na:  22.990
+Mg:  24.305
+Al:  26.982
+Si:  28.086
+P:   30.974
+S:   32.065
+Cl:  35.453
+Ar:  39.948
+
+# =========================================================================== #
+# 4. Reihe:
+# =========================================================================== #
+K:   39.098
+Ca:  40.078
+Sc:  44.956
+Ti:  47.867
+V:   50.942
+Cr:  51.996
+Mn:  54.938
+Fe:  55.845
+Co:  58.933
+Ni:  58.693
+Cu:  63.546
+Zn:  65.38   # This is Zink. This is valid in 2007, see: http://www.ciaaw.org/zinc.htm
+Ga:  69.723
+Ge:  72.64
+As:  74.922
+Se:  78.96
+Br:  79.904
+Kr:  83.798
+
+# =========================================================================== #
+# 5. Reihe:
+# =========================================================================== #
+Rb:  85.468
+Sr:  87.62
+Y:   88.906
+Zr:  91.224
+Nb:  92.906
+Mo:  95.96
+Tc:  97.907 # Why doesn't this have anything in the IUPAC version?
+Ru: 101.07
+Rh: 102.91
+Pd: 106.42
+Ag: 107.87
+Cd: 112.41
+In: 114.82
+Sn: 118.71
+Sb: 121.76
+Te: 127.60
+I:  126.90
+Xe: 131.29
+
+# =========================================================================== #
+# 6. Reihe:
+# =========================================================================== #
+Cs: 132.91
+Ba: 137.33
+Hf: 178.49
+Ta: 180.95
+W:  183.84
+Re: 186.21
+Os: 190.23
+Ir: 192.22
+Pt: 195.08
+Au: 196.97
+Hg: 200.59
+Tl: 204.38
+Pb: 207.2
+Bi: 208.98
+# Po: 
+# At: 
+# Rn:
+# ^^^ Da steht nix bei diesen 3 Elementen, wahrscheinlich weil sie instabil sind.

data/lib/chemistry_paradise/yaml/electron_negativity_chart.yml

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+# =========================================================================== #
+# This here is the Pauling electronegativity scale.
+#
+# There are other ways of measuring electronegativity, such as the
+# Mulliken scale and the Allred-Rochow scale.
+#
+# Linus Pauling's electronegativity scale is the most common though.
+#
+# Taken from:
+#
+#   http://www.tutor-homework.com/Chemistry_Help/electronegativity_table/electronegativity.html
+#
+# =========================================================================== #
+
+# =========================================================================== #
+# 1. Periode
+# =========================================================================== #
+H:  2.1
+He: 0
+
+# =========================================================================== #
+# 2. Periode
+# =========================================================================== #
+Li: 0.98
+Be: 1.57
+B:  2.04
+C:  2.55
+N:  3.04
+O:  3.44
+F:  3.98
+Ne: 0
+
+# =========================================================================== #
+# 3. Periode
+# =========================================================================== #
+Na: 0.93
+Mg: 1.31
+Al: 1.61
+Si: 1.9
+P:  2.19
+S:  2.58
+Cl: 3.16
+Ar: 0
+
+# =========================================================================== #
+# 4. Periode
+# =========================================================================== #
+K:  0.82
+Ca: 1
+Sc: 1.36
+Ti: 1.54
+V:  1.63
+Cr: 1.66
+Mn: 1.55
+Fe: 1.83
+Co: 1.88
+Ni: 1.91
+Cu: 1.9
+Zn: 1.65
+Ga: 1.81
+Ge: 2.01
+As: 2.18
+Se: 2.55
+Br: 2.96
+Kr: 0
+
+# =========================================================================== #
+# 5. Periode
+# =========================================================================== #
+Rb: 0.82
+Sr: 0.95
+Y:  1.22
+Zr: 1.33
+Nb: 1.6
+Mo: 2.16
+Tc: 1.9
+Ru: 2.2
+Rh: 2.28
+Pd: 2.2
+Ag: 1.93
+Cd: 1.69
+In: 1.78
+Sn: 1.96
+Sb: 2.05
+Te: 2.1
+I:  2.66
+Xe: 2.6
+
+# =========================================================================== #
+# 6. Periode
+# =========================================================================== #
+Cs: 0.79
+Ba: 0.89
+La: 1.1
+Hf: 1.3
+Ta: 1.5
+W:  2.36
+Re: 1.9
+Os: 2.2
+Ir: 2.2
+Pt: 2.28
+Au: 2.54
+Hg: 2
+Tl: 2.04
+Pb: 2.33
+Bi: 2.02
+Po: 2
+At: 2.2
+Rn: 0