Class: ChemistryParadise::CalculateAtomicMass
- Inherits:
-
Base
- Object
- Base
- ChemistryParadise::CalculateAtomicMass
show all
- Defined in:
- lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb
Overview
ChemistryParadise::CalculateAtomicMass
Constant Summary
collapse
- NAMESPACE =
inspect
- ARRAY_HELP_OPTIONS =
%w(
HELP help --help --h -h
)
- ATOMGEWICHTE =
YAML.load_file(File.expand_path('~')+File.basename(_))
- DEFAULT_INPUT =
'P2O5'
Constants inherited
from Base
Base::FILE_MOLECULAR_FORMULA_OF_DIFFERENT_MOLECULES
Constants included
from Shared
Shared::ARRAY_TEST_THESE_MOLECULES
Constants included
from Constants
ChemistryParadise::Constants::ELECTRON_NEGATIVITY_CHART, ChemistryParadise::Constants::FILE_ATOMGEWICHTE, ChemistryParadise::Constants::FILE_ELECTRON_NEGATIVITY_CHART, ChemistryParadise::Constants::FILE_PERIODIC_TABLE_OF_THE_ELEMENTS, ChemistryParadise::Constants::N, ChemistryParadise::Constants::PLANK_CONSTANT, ChemistryParadise::Constants::PROPER_FILLORDER, ChemistryParadise::Constants::SPEED_OF_LIGHT
Class Method Summary
collapse
-
.[](i) ⇒ Object
# === ChemistryParadise::CalculateAtomicMass[] ========================================================================= #.
-
.parse(i) ⇒ Object
# === ChemistryParadise::CalculateAtomicMass.parse ========================================================================= #.
Instance Method Summary
collapse
Methods inherited from Base
#be_quiet, #be_verbose?, #cd, #cliner, #commandline_arguments?, #do_use_the_english_language, #do_use_the_german_language, #do_we_use_english?, #esystem, #first_argument?, #gold, #grey, #initialize_the_internal_hash, #internal_hash?, #is_on_roebe?, #mediumpurple, #namespace?, #olivedrab, #rev, #royalblue, #set_be_verbose, #set_commandline_arguments, #sfancy, #steelblue, #teal, #tomato, #use_which_language?, #yellow
Methods included from Shared
#convert_parens, #is_number?, #periodic_table?, periodic_table?, #return_range_for_this_period, #square
Methods included from Constants
#electron_negativity_chart?
Constructor Details
#initialize(optional_input = ARGV, run_already = true) ⇒ CalculateAtomicMass
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 50
def initialize(
optional_input = ARGV,
run_already = true
)
reset
set_input(optional_input)
case run_already.to_s
when 'do_not_report'
@report_result = false
run_already = true
end
if block_given?
yielded = yield
case yielded
when :do_not_exit
@may_we_exit = false
else
if yielded.is_a? Hash
_ = yielded
if _.has_key? :verbosity
@report_result = _[:verbosity]
end
if _.has_key? :may_we_exit
@may_we_exit =_[:may_we_exit]
end
end
end
end
run if run_already
end
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Class Method Details
.[](i) ⇒ Object
#
ChemistryParadise::CalculateAtomicMass[]
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 498
def self.[](i)
parse(i)
end
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.parse(i) ⇒ Object
#
ChemistryParadise::CalculateAtomicMass.parse
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 505
def self.parse(i)
_ = new(i, false)
_.calculate
return _.nice_result
end
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Instance Method Details
#atomgewichte? ⇒ Boolean
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 222
def atomgewichte?
ATOMGEWICHTE
end
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#bold_red(i) ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 251
def bold_red(i)
swarn(i)
end
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#calculate_compound(i) ⇒ Object
Also known as:
ba, summenformel, atomgewicht, molmasse, molare_masse, calculcate_molecular_weight
#
calculate_compound
This method will attempt to calculate the given input.
The input to this method will usually be something like “Pb3”.
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 200
def calculate_compound(i)
result = 0
if i =~ /\d+/ splitted = i.split(/(\d+)/)
else splitted = [ i, 1 ]
end
if atomgewichte?.has_key? splitted[0]
result = splitted[1].to_i * ATOMGEWICHTE[splitted[0]]
end
gather_individual_components(i, result)
return result
end
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#calculate_result(i = input?
) ⇒ Object
Also known as:
calculate
#
calculate_result
Use this method to calculate the result (the molecular mass).
Keep in mind that the input may be somewhat complex, such as “(NH₄)₂SO₄”. This has to be expanded first.
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 473
def calculate_result(
i = input?
)
mass_number = 0 i.squeeze!(' ')
splitted = SplitMoleculeNames.new(i).result
splitted = sanitize_input_for_element_names(splitted)
splitted.each {|entry|
add_this_amount = calculate_compound(entry)
if @show_the_steps
e "#{rev}Now adding #{royalblue(add_this_amount)} for the "\
"compound #{steelblue(entry)}."
end
mass_number += add_this_amount
}
set_result(mass_number)
determine_output_string
end
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#consider_modifying_the_output_string ⇒ Object
#
consider_modifying_the_output_string
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 377
def consider_modifying_the_output_string
if @show_more _ = ''.dup
Hash[@individual_components].each_pair {|key, value|
key = key.scan(/./).map {|entry|
entry
}
key = key.join
_ << key+': '+value.round(7).to_s+' | '
}
@output_string = @output_string.dup if @output_string.frozen?
@output_string << "#{N}#{bold_red(' (The individual components were: ').dup}#{rev}"
_.strip!
splitted = _.split('|').map {|entry|
Colours.kde_colour_palette_plasma_blue(entry)
}
joined = splitted.join(teal('|'))
@output_string << joined+
bold_red(')')
end
end
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#determine_output_string ⇒ Object
#
determine_output_string
This method will determine the String that will be shown to the user on the commandline.
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 353
def determine_output_string
_ = nice_result
if do_we_use_english?
@output_string = "#{rev}The molecular mass of #{sfancy(@input)} is "\
"#{simp(_+' u (g / mol)')}."
else @output_string = "#{rev}Die molekulare Masse von #{sfancy(@input)} "\
"beträgt #{simp(_+' u (g / mol)')}."
end
end
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#do_show_details ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 336
def do_show_details
@show_more = true
end
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#do_show_the_steps ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 405
def do_show_the_steps
@show_the_steps = true
end
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#exit_the_program(may_we_exit = @may_we_exit) ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 455
def exit_the_program(
may_we_exit = @may_we_exit
)
case may_we_exit
when :then_exit
may_we_exit = true
end
exit if may_we_exit
end
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#gather_individual_components(name, weight) ⇒ Object
#
gather_individual_components
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 243
def gather_individual_components(name, weight)
array = [name, weight]
@individual_components << array
end
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 166
def input?
@input
end
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#is_included?(i = input?)
) ⇒ Boolean
Also known as:
include?
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 265
def is_included?(i = input?)
i = i.dup
i.delete!('0-9')
i = i[0,2] if i.size > 2 atomgewichte?.has_key?(i)
end
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#
The @commandline_arguments will be checked against the internal menu.
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 295
def (i = @commandline_arguments)
if i.is_a? Array
i.each {|entry| (entry) }
else
case i when /^-?-?english$/
do_use_the_english_language
when /^-?-?show(-|_)?steps$/
do_show_the_steps
when /^-?-?show(-|_)?details?$/,
'--detail'
do_show_details
when *ARRAY_HELP_OPTIONS
show_help
exit_the_program
when 'SUM',
'SHOW',
'MORE'
do_show_details
end
end
end
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#nice_result ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 258
def nice_result
@result.to_f.round(3).to_s
end
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#opnn ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 343
def opnn
super(NAMESPACE)
end
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#report_result ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 236
def report_result
e @output_string
end
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#report_result? ⇒ Boolean
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 278
def report_result?
@report_result
end
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#report_that_this_element_does_not_exist(i, may_we_exit = @may_we_exit) ⇒ Object
#
report_that_this_element_does_not_exist
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 445
def report_that_this_element_does_not_exist(
i, may_we_exit = @may_we_exit
)
opnn; e 'The given element at `'+sfancy(i.to_s)+'` does not exist.'
exit_the_program(may_we_exit)
end
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#reset ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 90
def reset
super()
@commandline_arguments = []
@show_more = true
@show_the_steps = false
@individual_components = []
@output_string = ''.dup
@report_result = true
@may_we_exit = true
@molecular_formula_of_different_molecules = YAML.load_file(
FILE_MOLECULAR_FORMULA_OF_DIFFERENT_MOLECULES
)
set_input
end
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#result? ⇒ Boolean
Also known as:
result, masse?
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 285
def result?
@result
end
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#run ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 429
def run
use_this_input = input?
if use_this_input.to_s.size < 3
unless is_included?
report_that_this_element_does_not_exist(use_this_input)
end
end
calculate_result
consider_modifying_the_output_string
report_result if report_result?
end
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#
This method will presently sanitize the input, by working on ₂ and on ₃, and replace these with the corresponding numbers. This may be useful depending on the chemical formula at hand, such as carbon dioxide (CO₂).
#
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 417
def sanitize_input
@input.tr!('₂','2') if @input.include? '₂'
@input.tr!('₃','3') if @input.include? '₃'
@input.tr!('₄','4') if @input.include? '₄'
if @input.include? '∙'
@input.tr!('∙','|')
end
end
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 173
def sanitize_input_for_element_names(array)
result = []
if array.any? {|entry| entry == entry.downcase }
array.each {|entry|
case entry
when *ARRAY_HELP_OPTIONS
show_help :then_exit
end
if entry == entry.downcase
result[-1] = result[-1]+entry
else
result << entry
end
}
else
result = array
end
return result
end
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 140
def set_input(i = DEFAULT_INPUT)
if i.is_a? Array
@commandline_arguments = i[1..-1] i = i.first end
i = DEFAULT_INPUT if i.nil?
case i.to_s
when 'do_not_report'
@report_result = false
i = nil
when 'harnstoff'
i = @molecular_formula_of_different_molecules['harnstoff']
end
i = ARRAY_TEST_THESE_MOLECULES if i == :test_default_molecules
i = i.to_s.dup
@input = i
sanitize_input
end
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#set_result(i) ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 229
def set_result(i)
@result = i
end
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#show_help(i = :then_exit) ⇒ Object
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# File 'lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb', line 367
def show_help(
i = :then_exit
)
opn; e 'Pass -SUM to show the individual sub-steps as well.'
exit_the_program(i)
end
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