chemistry_paradise 1.1.1

data/lib/chemistry_paradise/equalize_chemical_formula.rb

@@ -0,0 +1,82 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::EqualizeChemicalFormula
+#
+# This class will fill in the missing stoichiometric numbers.
+#
+# Usage examples:
+#   EqualizeChemicalFormula.new
+# =========================================================================== #
+# require 'chemistry_paradise/equalize_chemical_formula'
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+
+module ChemistryParadise
+
+class EqualizeChemicalFormula < ::ChemistryParadise::Base  # === EqualizeChemicalFormula
+
+  # ========================================================================= #
+  # === DEFAULT_FORMULA
+  # ========================================================================= #
+  DEFAULT_FORMULA = 'Fe(OH)3 + H2SO4 -> Fe2(SO4)3 + H2O'
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(
+      i           = nil,
+      run_already = true
+    )
+    set_test_this_formula(i)
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === set_original_input
+  # ========================================================================= #
+  def set_original_input(i)
+    @original_input = i
+  end
+
+  # ========================================================================= #
+  # === set_test_this_formula
+  # ========================================================================= #
+  def set_test_this_formula(
+      i = DEFAULT_FORMULA
+    )
+    i = DEFAULT_FORMULA if i.nil?
+    i = DEFAULT_FORMULA if i.empty?
+    set_original_input(i) # Call this before parse().
+    i = parse(i)
+    @test_this_formula = i
+  end
+
+  # ========================================================================= #
+  # === analyze_dataset
+  # ========================================================================= #
+  def analyze_dataset
+    splitted = @test_this_formula.split('->')
+    links = splitted[0]
+    rechts = splitted[1]
+    opn; e 'Auf der '+RED+'linken Seite '+WHITE+'finden wir: '+links
+    opn; e 'Auf der '+RED+'rechten Seite '+WHITE+'finden wir: '+rechts
+pp 'TODO: WIR MÜSSEN NOCH BERECHNEN WIE VIELE'
+pp 'ELEMENTE DORT VORKOMMEN'
+pp splitted
+  end
+
+  # ========================================================================= #
+  # === run                                                         (run tag)
+  # ========================================================================= #
+  def run
+    analyze_dataset
+pp self
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::EqualizeChemicalFormula.new(ARGV)
+end # $RUBY_CHEMISTRY/equalize_chemical_formula.rb

data/lib/chemistry_paradise/equation_solver.rb

@@ -0,0 +1,130 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# =========================================================================== #
+# === ChemistryParadise::EquationSolver
+#
+# Usage example:
+#   ChemistryParadise::EquationSolver.new
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+require 'chemistry_paradise/split_molecule_names.rb'
+
+module ChemistryParadise
+
+class EquationSolver < ::ChemistryParadise::Base # require 'equation_solver'; EquationSolver.new
+
+  # ========================================================================= #
+  # === THIS_FORMULA
+  # ========================================================================= #
+  THIS_FORMULA = 'NH3HHH + O2 -> N2 + H2O'
+
+  # ========================================================================= #
+  # === TOKEN_TO_SPLIT_AT
+  # ========================================================================= #
+  TOKEN_TO_SPLIT_AT = '->'
+
+  # ========================================================================= #
+  # === initialize
+  # ========================================================================= #
+  def initialize(
+      i           = nil,
+      run_already = true
+    )
+    reset
+    set_input(i)
+    run if run_already
+  end
+
+  # ========================================================================= #
+  # === reset
+  # ========================================================================= #
+  def reset # (reset tag)
+    @token_to_split_at = TOKEN_TO_SPLIT_AT
+  end
+
+  # ========================================================================= #
+  # === set_input
+  # ========================================================================= #
+  def set_input(i = '')
+    i = i.first if i.is_a? Array
+    i = THIS_FORMULA if i.nil?
+    i = i.to_s.dup
+    i.strip!
+    # ======================================================================= #
+    # Next, we will get rid of all ' '.
+    # ======================================================================= #
+    i.tr!(' ','')
+    @input = i
+  end
+
+  # ========================================================================= #
+  # === left?
+  # ========================================================================= #
+  def left?
+    @left_hand_side
+  end
+
+  # ========================================================================= #
+  # === right?
+  # ========================================================================= #
+  def right?
+    @right_hand_side
+  end
+
+  # ========================================================================= #
+  # === ensure_that_the_token_is_correct
+  # ========================================================================= #
+  def ensure_that_the_token_is_correct
+    if @input.include? '=' # In this case we overrule the token.
+      @token_to_split_at = '='
+    end
+  end
+
+  # ========================================================================= #
+  # === split_into_components
+  # ========================================================================= #
+  def split_into_components
+    @left_hand_side, @right_hand_side = @input.
+      split(@token_to_split_at).map(&:strip)
+    # ======================================================================= #
+    # Ok, we now have our left side, and we have our right side.
+    # We will next get the total content of Elements at the left
+    # and at the right side.
+    # ======================================================================= #
+    p SplitMoleculeNames.new left?
+    p SplitMoleculeNames.new right?
+    if are_both_sides_equal?
+      opn; e 'Both sides are now equal.'
+    else
+      opn; e 'Both sides are not equal.'
+    end
+  end
+
+  # ========================================================================= #
+  # === are_both_sides_equal?
+  # ========================================================================= #
+  def are_both_sides_equal?
+    result = false
+    # ======================================================================= #
+    # We have to eliminate the '+' characters.
+    # ======================================================================= #
+    left  = SplitMoleculeNames.new(left?.delete('+')).total?
+    right = SplitMoleculeNames.new(right?.delete('+')).total?
+    result = ( left == right )
+    return result
+  end
+
+  # ========================================================================= #
+  # === run
+  # ========================================================================= #
+  def run # (run tag)
+    ensure_that_the_token_is_correct
+    split_into_components
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::EquationSolver.new(ARGV)
+end # equation_solver
+    # equation_solver '2 Fe + 3 Cl2 = FeCl3'

data/lib/chemistry_paradise/interactive_chemistry_shell.rb

@@ -0,0 +1,241 @@
+#!/usr/bin/ruby -w
+# Encoding: UTF-8
+# frozen_string_literal: true
+# =========================================================================== #
+# === ChemistryParadise::InteractiveChemistryShell
+#
+# Usage examples:
+#   ChemistryParadise::InteractiveChemistryShell.new
+# =========================================================================== #
+require 'chemistry_paradise/base/base.rb'
+require 'chemistry_paradise/calculate_atomic_mass.rb'
+
+begin
+  require 'readline'
+rescue LoadError; end
+
+module ChemistryParadise
+
+class InteractiveChemistryShell < Base # require 'chemistry/interactive_chemistry_shell'; InteractiveChemistryShell.new
+
+  # ========================================================================= #
+  # === 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
+    i
+  end
+
+end; end
+
+if __FILE__ == $PROGRAM_NAME
+  ChemistryParadise::InteractiveChemistryShell.new
+end # ichem