chemistry_paradise 1.4.2
Sign up to get free protection for your applications and to get access to all the features.
- checksums.yaml +7 -0
- data/README.md +657 -0
- data/bin/chemistry_paradise +7 -0
- data/bin/wetter +7 -0
- data/chemistry_paradise.gemspec +46 -0
- data/doc/README.gen +595 -0
- data/doc/bugs/BUGS.md +16 -0
- data/doc/formulas/biochemical_calculations.md +5 -0
- data/doc/todo/todo_for_the_chemistry_paradise_project.md +33 -0
- data/doc/todo/todo_for_the_wetter_project.md +7 -0
- data/lib/chemistry_paradise/base/base.rb +215 -0
- data/lib/chemistry_paradise/base/colours.rb +93 -0
- data/lib/chemistry_paradise/commandline/help.rb +40 -0
- data/lib/chemistry_paradise/commandline/menu.rb +88 -0
- data/lib/chemistry_paradise/commandline/parse_commandline.rb +94 -0
- data/lib/chemistry_paradise/constants/constants.rb +77 -0
- data/lib/chemistry_paradise/constants/constants_for_chemical_formulas.rb +16 -0
- data/lib/chemistry_paradise/constants/file_constants.rb +33 -0
- data/lib/chemistry_paradise/constants/german_names_of_elements_to_element_symbol.rb +157 -0
- data/lib/chemistry_paradise/converters/celsius_to_fahrenheit.rb +143 -0
- data/lib/chemistry_paradise/converters/celsius_to_kelvin.rb +125 -0
- data/lib/chemistry_paradise/converters/fahrenheit_to_celsius.rb +132 -0
- data/lib/chemistry_paradise/converters/shared.rb +21 -0
- data/lib/chemistry_paradise/gui/gtk3/calculate_molecular_weight/calculate_molecular_weight.rb +34 -0
- data/lib/chemistry_paradise/gui/gtk3/show_periodic_table/show_periodic_table.rb +34 -0
- data/lib/chemistry_paradise/gui/gtk3/temperature_converter/temperature_converter.rb +112 -0
- data/lib/chemistry_paradise/gui/gtk3/wetter/wetter.rb +119 -0
- data/lib/chemistry_paradise/gui/libui/temperature_converter/temperature_converter.rb +100 -0
- data/lib/chemistry_paradise/gui/libui/wetter/wetter.rb +47 -0
- data/lib/chemistry_paradise/gui/shared_code/calculate_molecular_weight/calculate_molecular_weight_module.rb +171 -0
- data/lib/chemistry_paradise/gui/shared_code/show_periodic_table/show_periodic_table_module.rb +318 -0
- data/lib/chemistry_paradise/gui/shared_code/temperature_converter/temperature_converter_module.rb +192 -0
- data/lib/chemistry_paradise/gui/shared_code/wetter/wetter_module.rb +349 -0
- data/lib/chemistry_paradise/gui/swing/TemperatureConverter$1.class +0 -0
- data/lib/chemistry_paradise/gui/swing/TemperatureConverter.class +0 -0
- data/lib/chemistry_paradise/gui/swing/TemperatureConverter.java +133 -0
- data/lib/chemistry_paradise/gui/unified_widgets/wetter/wetter.rb +62 -0
- data/lib/chemistry_paradise/images/show_periodic_table.png +0 -0
- data/lib/chemistry_paradise/images/vienna_map.png +0 -0
- data/lib/chemistry_paradise/interactive_chemistry_shell.rb +246 -0
- data/lib/chemistry_paradise/project/project.rb +24 -0
- data/lib/chemistry_paradise/requires/common_external_requires.rb +17 -0
- data/lib/chemistry_paradise/requires/require_the_project.rb +21 -0
- data/lib/chemistry_paradise/requires/require_the_project_including_the_graphical_user_interface.rb +7 -0
- data/lib/chemistry_paradise/requires/require_the_project_including_the_web_interface.rb +4 -0
- data/lib/chemistry_paradise/shared.rb +130 -0
- data/lib/chemistry_paradise/show_electron_configuration.rb +250 -0
- data/lib/chemistry_paradise/show_element.rb +145 -0
- data/lib/chemistry_paradise/sinatra/sinatra.rb +131 -0
- data/lib/chemistry_paradise/sinatra/wetter/app.rb +68 -0
- data/lib/chemistry_paradise/sinatra/wetter/start_sinatra_interface.rb +31 -0
- data/lib/chemistry_paradise/split_molecule_names.rb +228 -0
- data/lib/chemistry_paradise/toplevel_methods/atomgewichte.rb +31 -0
- data/lib/chemistry_paradise/toplevel_methods/convert_parens.rb +64 -0
- data/lib/chemistry_paradise/toplevel_methods/display_where_the_molmasses_are_kept.rb +24 -0
- data/lib/chemistry_paradise/toplevel_methods/e.rb +16 -0
- data/lib/chemistry_paradise/toplevel_methods/kelvin.rb +34 -0
- data/lib/chemistry_paradise/toplevel_methods/language.rb +50 -0
- data/lib/chemistry_paradise/toplevel_methods/misc.rb +228 -0
- data/lib/chemistry_paradise/toplevel_methods/periodic_table.rb +16 -0
- data/lib/chemistry_paradise/toplevel_methods/remove_this_molecule_from.rb +63 -0
- data/lib/chemistry_paradise/toplevel_methods/roebe.rb +16 -0
- data/lib/chemistry_paradise/toplevel_methods/show_electron_negativity_chart.rb +26 -0
- data/lib/chemistry_paradise/utility_scripts/calculate_atomic_mass.rb +559 -0
- data/lib/chemistry_paradise/utility_scripts/combustion_analysis.rb +207 -0
- data/lib/chemistry_paradise/utility_scripts/electron_negativity_chart.rb +78 -0
- data/lib/chemistry_paradise/utility_scripts/equalize_chemical_formula.rb +84 -0
- data/lib/chemistry_paradise/utility_scripts/equation_solver.rb +130 -0
- data/lib/chemistry_paradise/utility_scripts/orbitals.rb +70 -0
- data/lib/chemistry_paradise/utility_scripts/show_electron_negativity_of_this_element.rb +103 -0
- data/lib/chemistry_paradise/utility_scripts/show_periodic_table.rb +996 -0
- data/lib/chemistry_paradise/verbose_chemical_calculation.rb +21 -0
- data/lib/chemistry_paradise/version/version.rb +19 -0
- data/lib/chemistry_paradise/wetter/wetter.rb +539 -0
- data/lib/chemistry_paradise/www/wetter/embeddable_interface.rb +78 -0
- data/lib/chemistry_paradise/www/wetter/wetter.cgi +28 -0
- data/lib/chemistry_paradise/yaml/atomgewichte.yml +139 -0
- data/lib/chemistry_paradise/yaml/colours_for_the_elements.yml +13 -0
- data/lib/chemistry_paradise/yaml/dichte.yml +21 -0
- data/lib/chemistry_paradise/yaml/electron_negativity_chart.yml +111 -0
- data/lib/chemistry_paradise/yaml/molecular_formula_of_different_molecules.yml +13 -0
- data/lib/chemistry_paradise/yaml/periodic_table_of_the_elements.yml +125 -0
- data/lib/chemistry_paradise.rb +1 -0
- data/test/testing_chemistry_paradise.rb +49 -0
- metadata +175 -0
@@ -0,0 +1,215 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# require 'chemistry_paradise/base/base.rb'; < ::ChemistryParadise::Base
|
6
|
+
# =========================================================================== #
|
7
|
+
require 'chemistry_paradise/base/colours.rb'
|
8
|
+
|
9
|
+
module ChemistryParadise
|
10
|
+
|
11
|
+
class Base # === ChemistryParadise::Base
|
12
|
+
|
13
|
+
require 'chemistry_paradise/project/project.rb'
|
14
|
+
|
15
|
+
require 'chemistry_paradise/constants/constants.rb'
|
16
|
+
include ChemistryParadise::Constants
|
17
|
+
|
18
|
+
require 'chemistry_paradise/toplevel_methods/roebe.rb'
|
19
|
+
require 'chemistry_paradise/toplevel_methods/language.rb'
|
20
|
+
require 'chemistry_paradise/constants/german_names_of_elements_to_element_symbol.rb'
|
21
|
+
|
22
|
+
require 'chemistry_paradise/shared.rb'
|
23
|
+
include ChemistryParadise::Shared
|
24
|
+
|
25
|
+
alias ee print
|
26
|
+
|
27
|
+
# ========================================================================= #
|
28
|
+
# === NAMESPACE
|
29
|
+
# ========================================================================= #
|
30
|
+
NAMESPACE = inspect
|
31
|
+
|
32
|
+
# ========================================================================= #
|
33
|
+
# === FILE_MOLECULAR_FORMULA_OF_DIFFERENT_MOLECULES
|
34
|
+
# ========================================================================= #
|
35
|
+
FILE_MOLECULAR_FORMULA_OF_DIFFERENT_MOLECULES =
|
36
|
+
"#{PROJECT_BASE_DIRECTORY}yaml/molecular_formula_of_different_molecules.yml"
|
37
|
+
|
38
|
+
# ========================================================================= #
|
39
|
+
# === reset (reset tag)
|
40
|
+
# ========================================================================= #
|
41
|
+
def reset
|
42
|
+
# ======================================================================= #
|
43
|
+
# === @be_verbose
|
44
|
+
# ======================================================================= #
|
45
|
+
@be_verbose = true
|
46
|
+
end
|
47
|
+
|
48
|
+
# ========================================================================= #
|
49
|
+
# === initialize_the_internal_hash
|
50
|
+
# ========================================================================= #
|
51
|
+
def initialize_the_internal_hash
|
52
|
+
# ======================================================================= #
|
53
|
+
# === @internal_hash
|
54
|
+
# ======================================================================= #
|
55
|
+
@internal_hash = {}
|
56
|
+
end
|
57
|
+
|
58
|
+
# ========================================================================= #
|
59
|
+
# === internal_hash?
|
60
|
+
# ========================================================================= #
|
61
|
+
def internal_hash?
|
62
|
+
@internal_hash
|
63
|
+
end; alias internal_hash internal_hash? # === internal_hash
|
64
|
+
|
65
|
+
# ========================================================================= #
|
66
|
+
# === opnn
|
67
|
+
# ========================================================================= #
|
68
|
+
def opnn(i)
|
69
|
+
if i.is_a? String
|
70
|
+
i = { namespace: i }
|
71
|
+
end
|
72
|
+
Opn.opn(i) # Delegate to module Opn here.
|
73
|
+
end
|
74
|
+
|
75
|
+
# ========================================================================= #
|
76
|
+
# === use_which_language?
|
77
|
+
# ========================================================================= #
|
78
|
+
def use_which_language?
|
79
|
+
::ChemistryParadise.use_which_language?
|
80
|
+
end
|
81
|
+
|
82
|
+
# ========================================================================= #
|
83
|
+
# === do_we_use_english?
|
84
|
+
#
|
85
|
+
# Query method to determine whether we will use english or whether
|
86
|
+
# we will use another language, for a project-wide setting.
|
87
|
+
# ========================================================================= #
|
88
|
+
def do_we_use_english?
|
89
|
+
(use_which_language? == :english)
|
90
|
+
end
|
91
|
+
|
92
|
+
# ========================================================================= #
|
93
|
+
# === set_commandline_arguments
|
94
|
+
# ========================================================================= #
|
95
|
+
def set_commandline_arguments(i = '')
|
96
|
+
i = [i].flatten.compact
|
97
|
+
@commandline_arguments = i
|
98
|
+
end
|
99
|
+
|
100
|
+
# ========================================================================= #
|
101
|
+
# === commandline_arguments?
|
102
|
+
# ========================================================================= #
|
103
|
+
def commandline_arguments?
|
104
|
+
@commandline_arguments
|
105
|
+
end
|
106
|
+
|
107
|
+
# ========================================================================= #
|
108
|
+
# === first_argument?
|
109
|
+
# ========================================================================= #
|
110
|
+
def first_argument?
|
111
|
+
@commandline_arguments.first
|
112
|
+
end; alias first? first_argument? # === first?
|
113
|
+
|
114
|
+
# ========================================================================= #
|
115
|
+
# === do_use_the_german_language
|
116
|
+
# ========================================================================= #
|
117
|
+
def do_use_the_german_language
|
118
|
+
::ChemistryParadise.do_use_german
|
119
|
+
end
|
120
|
+
|
121
|
+
# ========================================================================= #
|
122
|
+
# === do_use_the_english_language
|
123
|
+
# ========================================================================= #
|
124
|
+
def do_use_the_english_language
|
125
|
+
::ChemistryParadise.do_use_english
|
126
|
+
end
|
127
|
+
|
128
|
+
# ========================================================================= #
|
129
|
+
# === cliner
|
130
|
+
#
|
131
|
+
# This variant will return rather than output/display.
|
132
|
+
# ========================================================================= #
|
133
|
+
def cliner
|
134
|
+
'=' * 80
|
135
|
+
end
|
136
|
+
|
137
|
+
# ========================================================================= #
|
138
|
+
# === cd (cd tag)
|
139
|
+
# ========================================================================= #
|
140
|
+
def cd(i)
|
141
|
+
Dir.chdir(i)
|
142
|
+
end
|
143
|
+
|
144
|
+
# ========================================================================= #
|
145
|
+
# === esystem (system tag)
|
146
|
+
# ========================================================================= #
|
147
|
+
def esystem(
|
148
|
+
i,
|
149
|
+
silence_output_from_system = false,
|
150
|
+
&block
|
151
|
+
)
|
152
|
+
yielded = nil
|
153
|
+
if block_given?
|
154
|
+
yielded = yield
|
155
|
+
end
|
156
|
+
case yielded
|
157
|
+
# ======================================================================= #
|
158
|
+
# === :be_quiet
|
159
|
+
# ======================================================================= #
|
160
|
+
when :be_quiet
|
161
|
+
else # This is the default.
|
162
|
+
puts i
|
163
|
+
end
|
164
|
+
case silence_output_from_system
|
165
|
+
# ======================================================================= #
|
166
|
+
# === :silence_output_from_system
|
167
|
+
# ======================================================================= #
|
168
|
+
when :silence_output_from_system
|
169
|
+
silence_output_from_system = true
|
170
|
+
end
|
171
|
+
if silence_output_from_system
|
172
|
+
# system i, out: File::NULL
|
173
|
+
`#{i} 2>&1`
|
174
|
+
else
|
175
|
+
system i
|
176
|
+
end
|
177
|
+
end
|
178
|
+
|
179
|
+
# ========================================================================= #
|
180
|
+
# === is_on_roebe?
|
181
|
+
# ========================================================================= #
|
182
|
+
def is_on_roebe?
|
183
|
+
ChemistryParadise.is_on_roebe?
|
184
|
+
end
|
185
|
+
|
186
|
+
# ========================================================================= #
|
187
|
+
# === namespace?
|
188
|
+
# ========================================================================= #
|
189
|
+
def namespace?
|
190
|
+
@namespace
|
191
|
+
end
|
192
|
+
|
193
|
+
# ========================================================================= #
|
194
|
+
# === set_be_verbose
|
195
|
+
# ========================================================================= #
|
196
|
+
def set_be_verbose
|
197
|
+
@be_verbose = true
|
198
|
+
end
|
199
|
+
|
200
|
+
# ========================================================================= #
|
201
|
+
# === be_quiet
|
202
|
+
# ========================================================================= #
|
203
|
+
def be_quiet
|
204
|
+
@be_verbose = false
|
205
|
+
end; alias be_silent be_quiet # === be_silent
|
206
|
+
alias set_be_quiet be_quiet # === set_be_quiet
|
207
|
+
|
208
|
+
# ========================================================================= #
|
209
|
+
# === be_verbose?
|
210
|
+
# ========================================================================= #
|
211
|
+
def be_verbose?
|
212
|
+
@be_verbose
|
213
|
+
end; alias be_verbose be_verbose? # === be_verbose
|
214
|
+
|
215
|
+
end; end
|
@@ -0,0 +1,93 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# require 'chemistry_paradise/base/colours.rb'
|
6
|
+
# =========================================================================== #
|
7
|
+
module ChemistryParadise
|
8
|
+
|
9
|
+
class Base # === ChemistryParadise::Base
|
10
|
+
|
11
|
+
begin
|
12
|
+
require 'colours/html_colours'
|
13
|
+
include Colours
|
14
|
+
rescue LoadError; end
|
15
|
+
|
16
|
+
# ========================================================================= #
|
17
|
+
# === rev
|
18
|
+
# ========================================================================= #
|
19
|
+
def rev
|
20
|
+
::Colours.rev
|
21
|
+
end
|
22
|
+
|
23
|
+
# ========================================================================= #
|
24
|
+
# === sfancy
|
25
|
+
# ========================================================================= #
|
26
|
+
def sfancy(i = '')
|
27
|
+
::Colours.sfancy(i)
|
28
|
+
end
|
29
|
+
|
30
|
+
# ========================================================================= #
|
31
|
+
# === grey
|
32
|
+
# ========================================================================= #
|
33
|
+
def grey(i = '')
|
34
|
+
"#{::Colours::GREY}#{i}#{Colours}#{rev}"
|
35
|
+
end
|
36
|
+
|
37
|
+
# ========================================================================= #
|
38
|
+
# === steelblue
|
39
|
+
# ========================================================================= #
|
40
|
+
def steelblue(i = '')
|
41
|
+
::Colours.steelblue(i)
|
42
|
+
end
|
43
|
+
|
44
|
+
# ========================================================================= #
|
45
|
+
# === yellow
|
46
|
+
# ========================================================================= #
|
47
|
+
def yellow(i = '')
|
48
|
+
::Colours.yellow(i)
|
49
|
+
end
|
50
|
+
|
51
|
+
# ========================================================================= #
|
52
|
+
# === teal
|
53
|
+
# ========================================================================= #
|
54
|
+
def teal(i = '')
|
55
|
+
::Colours.teal(i)
|
56
|
+
end
|
57
|
+
|
58
|
+
# ========================================================================= #
|
59
|
+
# === tomato
|
60
|
+
# ========================================================================= #
|
61
|
+
def tomato(i = '')
|
62
|
+
::Colours.tomato(i)
|
63
|
+
end
|
64
|
+
|
65
|
+
# ========================================================================= #
|
66
|
+
# === royalblue
|
67
|
+
# ========================================================================= #
|
68
|
+
def royalblue(i = '')
|
69
|
+
::Colours.royalblue(i)
|
70
|
+
end
|
71
|
+
|
72
|
+
# ========================================================================= #
|
73
|
+
# === mediumpurple
|
74
|
+
# ========================================================================= #
|
75
|
+
def mediumpurple(i = '')
|
76
|
+
::Colours.mediumpurple(i)
|
77
|
+
end
|
78
|
+
|
79
|
+
# ========================================================================= #
|
80
|
+
# === olivedrab
|
81
|
+
# ========================================================================= #
|
82
|
+
def olivedrab(i = '')
|
83
|
+
::Colours.olivedrab(i)
|
84
|
+
end
|
85
|
+
|
86
|
+
# ========================================================================= #
|
87
|
+
# === gold
|
88
|
+
# ========================================================================= #
|
89
|
+
def gold(i = '')
|
90
|
+
::Colours.gold(i)
|
91
|
+
end
|
92
|
+
|
93
|
+
end; end
|
@@ -0,0 +1,40 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# require 'chemistry_paradise/commandline/help.rb'
|
6
|
+
# =========================================================================== #
|
7
|
+
module ChemistryParadise
|
8
|
+
|
9
|
+
class ParseCommandline < ::ChemistryParadise::Base
|
10
|
+
|
11
|
+
# ========================================================================= #
|
12
|
+
# === show_help
|
13
|
+
#
|
14
|
+
# The help options can be queried via:
|
15
|
+
#
|
16
|
+
# chemistry_paradise --help
|
17
|
+
#
|
18
|
+
# ========================================================================= #
|
19
|
+
def show_help
|
20
|
+
e 'The following options are documented:'
|
21
|
+
e
|
22
|
+
e ' --molmassen? # show '\
|
23
|
+
'where the molmasses are kept (a file)'
|
24
|
+
e ' --electronegativity-of=F/Fe # report '\
|
25
|
+
'the electronegativitiy of the elements F '\
|
26
|
+
'and Fe (Fluor and Iron)'
|
27
|
+
e ' --show_electron_negativity_chart # show '\
|
28
|
+
'the electron negativity chart of the atoms'
|
29
|
+
e ' --gtk-calculate-molecular-weight # to start '\
|
30
|
+
'the ruby-gtk3 wrapper for calculating the '\
|
31
|
+
'weight of compounds'
|
32
|
+
e ' /Quecksilber/ # use '\
|
33
|
+
'a pseudo-regex to obtain the element-symbol '\
|
34
|
+
'from a german name'
|
35
|
+
e ' ^^^ the above // is called a pseudo-regex; pseudo '\
|
36
|
+
'because it is actually a String and not a regex'
|
37
|
+
e
|
38
|
+
end
|
39
|
+
|
40
|
+
end; end
|
@@ -0,0 +1,88 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# === ChemistryParadise::ParseCommandline
|
6
|
+
# =========================================================================== #
|
7
|
+
# require 'chemistry_paradise/commandline/menu.rb'
|
8
|
+
# =========================================================================== #
|
9
|
+
require 'chemistry_paradise/base/base.rb'
|
10
|
+
|
11
|
+
module ChemistryParadise
|
12
|
+
|
13
|
+
class ParseCommandline < ::ChemistryParadise::Base # === ChemistryParadise::ParseCommandline
|
14
|
+
|
15
|
+
require 'chemistry_paradise/toplevel_methods/display_where_the_molmasses_are_kept.rb'
|
16
|
+
require 'chemistry_paradise/toplevel_methods/show_electron_negativity_chart.rb'
|
17
|
+
require 'chemistry_paradise/utility_scripts/show_electron_negativity_of_this_element.rb'
|
18
|
+
|
19
|
+
# ========================================================================= #
|
20
|
+
# === menu (menu tag)
|
21
|
+
# ========================================================================= #
|
22
|
+
def menu(
|
23
|
+
i = @commandline
|
24
|
+
)
|
25
|
+
if i.is_a? Array
|
26
|
+
i.each {|entry| menu(entry) }
|
27
|
+
else
|
28
|
+
case i
|
29
|
+
# ===================================================================== #
|
30
|
+
# === chemistry_paradise --gtk-calculate-molecular-weight
|
31
|
+
# ===================================================================== #
|
32
|
+
when /^-?-?gtk(_|-)?calculate(_|-)?molecular(_|-)?weight$/i
|
33
|
+
require 'chemistry_paradise/gui/gtk3/calculate_molecular_weight/calculate_molecular_weight.rb'
|
34
|
+
ChemistryParadise::GUI::Gtk::CalculateMolecularWeight.run
|
35
|
+
exit
|
36
|
+
# ===================================================================== #
|
37
|
+
# === chemistry_paradise --periodic-table
|
38
|
+
# ===================================================================== #
|
39
|
+
when /^-?-?periodic(_|-)?table$/i
|
40
|
+
show_the_periodic_table
|
41
|
+
exit
|
42
|
+
# ===================================================================== #
|
43
|
+
# === chemistry_paradise --electronegativity-of=F/Fe
|
44
|
+
# ===================================================================== #
|
45
|
+
when /-?-?electronegativity(_|-)?of=(.+)/
|
46
|
+
these_elements = $2.to_s.dup.strip
|
47
|
+
if these_elements.include? '/'
|
48
|
+
these_elements = these_elements.split('/')
|
49
|
+
end
|
50
|
+
ChemistryParadise::ShowElectronNegativityOfThisElement.new(these_elements)
|
51
|
+
# ===================================================================== #
|
52
|
+
# === chemistry_paradise show_electron_negativity_chart
|
53
|
+
# ===================================================================== #
|
54
|
+
when /show(_|-)?electron(_|-)?negativity(_|-)?chart/
|
55
|
+
show_electron_negativity_chart
|
56
|
+
# ===================================================================== #
|
57
|
+
# === chemistry_paradise test_which_molecules?
|
58
|
+
# ===================================================================== #
|
59
|
+
when /test(_|-)?which(_|-)?molecules\??/
|
60
|
+
pp ARRAY_TEST_THESE_MOLECULES
|
61
|
+
# ===================================================================== #
|
62
|
+
# === chemistry_paradise --molmassen?
|
63
|
+
# ===================================================================== #
|
64
|
+
when /molmassen\??/,
|
65
|
+
/display(_|-)?molmassen(_|-)?file/,
|
66
|
+
/display(_|-)?where(_|-)?the(_|-)?molmasses(_|-)?are(_|-)?kept/
|
67
|
+
::ChemistryParadise.display_where_the_molmasses_are_kept
|
68
|
+
# ===================================================================== #
|
69
|
+
# === chemistry_paradise --help
|
70
|
+
# ===================================================================== #
|
71
|
+
when /^-?-?help/
|
72
|
+
show_help
|
73
|
+
else
|
74
|
+
if i.start_with?('/') and i.end_with?('/')
|
75
|
+
# ================================================================= #
|
76
|
+
# Assume this to be a pseudo-regex.
|
77
|
+
# ================================================================= #
|
78
|
+
search_for_this_element = i.delete('/').capitalize
|
79
|
+
_ = ChemistryParadise.return_element_symbol_from_this_german_name(search_for_this_element)
|
80
|
+
if _
|
81
|
+
e simp(search_for_this_element)+' corresponds to '+sfancy(_)+'.'
|
82
|
+
end
|
83
|
+
end
|
84
|
+
end
|
85
|
+
end
|
86
|
+
end; alias check_against_menu menu # === check_against_menu
|
87
|
+
|
88
|
+
end; end
|
@@ -0,0 +1,94 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# === ChemistryParadise::ParseCommandline
|
6
|
+
#
|
7
|
+
# Use this class in order to parse the commandline.
|
8
|
+
# =========================================================================== #
|
9
|
+
# require 'chemistry_paradise/commandline/parse_commandline.rb'
|
10
|
+
# =========================================================================== #
|
11
|
+
require 'chemistry_paradise/base/base.rb'
|
12
|
+
require 'chemistry_paradise/commandline/menu.rb'
|
13
|
+
require 'chemistry_paradise/commandline/help.rb'
|
14
|
+
|
15
|
+
module ChemistryParadise
|
16
|
+
|
17
|
+
class ParseCommandline < ::ChemistryParadise::Base # === ChemistryParadise::ParseCommandline
|
18
|
+
|
19
|
+
# ========================================================================= #
|
20
|
+
# === initialize
|
21
|
+
# ========================================================================= #
|
22
|
+
def initialize(
|
23
|
+
optional_input = ARGV,
|
24
|
+
run_already = true
|
25
|
+
)
|
26
|
+
set_commandline(optional_input)
|
27
|
+
reset
|
28
|
+
run if run_already
|
29
|
+
end
|
30
|
+
|
31
|
+
# ========================================================================= #
|
32
|
+
# === reset
|
33
|
+
# ========================================================================= #
|
34
|
+
def reset
|
35
|
+
super()
|
36
|
+
end
|
37
|
+
|
38
|
+
# ========================================================================= #
|
39
|
+
# === show_the_periodic_table
|
40
|
+
# ========================================================================= #
|
41
|
+
def show_the_periodic_table
|
42
|
+
_ = ::ChemistryParadise.periodic_table?
|
43
|
+
if File.exist? _
|
44
|
+
YAML.load_file(_).each_pair {|key, value|
|
45
|
+
e ' '+(key.to_s+ ':').ljust(3)+' '+value.to_s.rjust(2)
|
46
|
+
}
|
47
|
+
end
|
48
|
+
end
|
49
|
+
|
50
|
+
# ========================================================================= #
|
51
|
+
# === set_commandline
|
52
|
+
# ========================================================================= #
|
53
|
+
def set_commandline(i)
|
54
|
+
i = [i] unless i.is_a? Array
|
55
|
+
@commandline = i
|
56
|
+
end
|
57
|
+
|
58
|
+
# ========================================================================= #
|
59
|
+
# === run
|
60
|
+
# ========================================================================= #
|
61
|
+
def run
|
62
|
+
menu
|
63
|
+
end
|
64
|
+
|
65
|
+
# ========================================================================= #
|
66
|
+
# === berechne_atomgewicht
|
67
|
+
# ========================================================================= #
|
68
|
+
def berechne_atomgewicht(i)
|
69
|
+
pp i
|
70
|
+
if i.is_a? Array
|
71
|
+
i.flatten.each {|entry|
|
72
|
+
berechne_atomgewicht(i)
|
73
|
+
}
|
74
|
+
else
|
75
|
+
if i == :test_default_molecules
|
76
|
+
i = ARRAY_TEST_THESE_MOLECULES
|
77
|
+
end
|
78
|
+
if i.is_a? Array
|
79
|
+
berechne_atomgewicht(i)
|
80
|
+
else
|
81
|
+
e sprintf(
|
82
|
+
'The mass number of %-4s is %3s',
|
83
|
+
i,
|
84
|
+
ChemistryParadise::CalculateAtomicMass.new(i).result.to_s
|
85
|
+
)
|
86
|
+
end
|
87
|
+
end
|
88
|
+
end
|
89
|
+
|
90
|
+
end; end
|
91
|
+
|
92
|
+
if __FILE__ == $PROGRAM_NAME
|
93
|
+
ChemistryParadise::ParseCommandline.new(ARGV)
|
94
|
+
end
|
@@ -0,0 +1,77 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# require 'chemistry_paradise/constants/constants.rb'
|
6
|
+
# =========================================================================== #
|
7
|
+
require 'yaml'
|
8
|
+
require 'chemistry_paradise/constants/file_constants.rb'
|
9
|
+
|
10
|
+
module ChemistryParadise
|
11
|
+
|
12
|
+
module Constants # include ChemistryParadise::Constants
|
13
|
+
|
14
|
+
# ========================================================================= #
|
15
|
+
# === N
|
16
|
+
# ========================================================================= #
|
17
|
+
N = "\n"
|
18
|
+
|
19
|
+
# ========================================================================= #
|
20
|
+
# === ELECTRON_NEGATIVITY_CHART
|
21
|
+
# ========================================================================= #
|
22
|
+
if File.exist? FILE_ELECTRON_NEGATIVITY_CHART
|
23
|
+
ELECTRON_NEGATIVITY_CHART = YAML.load_file(FILE_ELECTRON_NEGATIVITY_CHART)
|
24
|
+
else
|
25
|
+
ELECTRON_NEGATIVITY_CHART = nil
|
26
|
+
end
|
27
|
+
|
28
|
+
# ========================================================================= #
|
29
|
+
# === electron_negativity_chart?
|
30
|
+
# ========================================================================= #
|
31
|
+
def electron_negativity_chart?
|
32
|
+
ELECTRON_NEGATIVITY_CHART
|
33
|
+
end
|
34
|
+
|
35
|
+
# ========================================================================= #
|
36
|
+
# === SPEED_OF_LIGHT
|
37
|
+
#
|
38
|
+
# The speed of light, in m / sec.
|
39
|
+
#
|
40
|
+
# You can refer to this constant in your ruby scripts too:
|
41
|
+
# c = ChemistryParadise::Constants::SPEED_OF_LIGHT
|
42
|
+
# ========================================================================= #
|
43
|
+
SPEED_OF_LIGHT = 299_792_458
|
44
|
+
|
45
|
+
# ========================================================================= #
|
46
|
+
# === PLANK_CONSTANT
|
47
|
+
#
|
48
|
+
# h = ChemistryParadise::Constants::PLANK_CONSTANT
|
49
|
+
# ========================================================================= #
|
50
|
+
PLANK_CONSTANT = 6.62607004 * (10 ** -34)
|
51
|
+
|
52
|
+
# ========================================================================= #
|
53
|
+
# === PROPER_FILLORDER
|
54
|
+
# ========================================================================= #
|
55
|
+
PROPER_FILLORDER = %w(
|
56
|
+
1s
|
57
|
+
2s
|
58
|
+
2p
|
59
|
+
3s
|
60
|
+
3p
|
61
|
+
4s
|
62
|
+
3d
|
63
|
+
4p
|
64
|
+
5s
|
65
|
+
4d
|
66
|
+
5p
|
67
|
+
6s
|
68
|
+
4f
|
69
|
+
5d
|
70
|
+
6p
|
71
|
+
7s
|
72
|
+
5f
|
73
|
+
6d
|
74
|
+
7p
|
75
|
+
)
|
76
|
+
|
77
|
+
end; end
|
@@ -0,0 +1,16 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
module ChemistryParadise
|
6
|
+
|
7
|
+
module ConstantsForChemicalFormulas # === ChemistryParadise::ConstantsForChemicalFormulas
|
8
|
+
|
9
|
+
# ========================================================================= #
|
10
|
+
# === R
|
11
|
+
#
|
12
|
+
# This is 8.314 J⋅K−1⋅mol−1.
|
13
|
+
# ========================================================================= #
|
14
|
+
R = 8.314
|
15
|
+
|
16
|
+
end; end
|
@@ -0,0 +1,33 @@
|
|
1
|
+
#!/usr/bin/ruby -w
|
2
|
+
# Encoding: UTF-8
|
3
|
+
# frozen_string_literal: true
|
4
|
+
# =========================================================================== #
|
5
|
+
# require 'chemistry_paradise/constants/file_constants.rb'
|
6
|
+
# =========================================================================== #
|
7
|
+
require 'chemistry_paradise/project/project.rb'
|
8
|
+
|
9
|
+
module ChemistryParadise
|
10
|
+
|
11
|
+
module Constants # === ChemistryParadise::Constants
|
12
|
+
|
13
|
+
# ========================================================================= #
|
14
|
+
# === FILE_ELECTRON_NEGATIVITY_CHART
|
15
|
+
#
|
16
|
+
# bl $RUBY_SRC/chemistry_paradise/lib/chemistry_paradise/yaml/electron_negativity_chart.yml
|
17
|
+
# ========================================================================= #
|
18
|
+
FILE_ELECTRON_NEGATIVITY_CHART =
|
19
|
+
"#{PROJECT_BASE_DIRECTORY}yaml/electron_negativity_chart.yml"
|
20
|
+
|
21
|
+
# ========================================================================= #
|
22
|
+
# === FILE_ATOMGEWICHTE
|
23
|
+
# ========================================================================= #
|
24
|
+
FILE_ATOMGEWICHTE =
|
25
|
+
"#{PROJECT_BASE_DIRECTORY}yaml/atomgewichte.yml"
|
26
|
+
|
27
|
+
# ========================================================================= #
|
28
|
+
# === ChemistryParadise::Constants::FILE_PERIODIC_TABLE_OF_THE_ELEMENTS
|
29
|
+
# ========================================================================= #
|
30
|
+
FILE_PERIODIC_TABLE_OF_THE_ELEMENTS =
|
31
|
+
"#{PROJECT_BASE_DIRECTORY}yaml/periodic_table_of_the_elements.yml"
|
32
|
+
|
33
|
+
end; end
|