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1 NAME
2 InfoPeriodicTableElements.pl - List atomic properties of elements
3
4 SYNOPSIS
5 InfoPeriodicTableElements.pl ElementID(s)...
6
7 InfoPeriodicTableElements.pl [-h, --help] [-m, --mode ElementID |
8 AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName |
9 PeriodNumber | All] [--outdelim comma | tab | semicolon] [--output
10 STDOUT | File] [--outputstyle ElementBlock | ElementRows] [-o,
11 --overwrite] [--precision number] [--propertiesmode Categories | Names |
12 All] [-p, --properties CategoryName,[CategoryName,...] |
13 PropertyName,[PropertyName,...]] [--propertieslinting ByGroup |
14 Alphabetical] [-q, --quote yes | no] [-r, --root rootname] [-w,
15 --workingdir dirname] ElementID(s)...
16
17 DESCRIPTION
18 List atomic properties of elements in the periodic table. A variety of
19 methods are available to specify elements of interest: atomic numbers,
20 element symbols, American or European style group labels, IUPAC group
21 numbers, period numbers, and group names.
22
23 Atomic properties data, in addition to basic information about the
24 periodic table elements, is also available for these categories: atomic
25 radii, bulk properties, common valences, electronegativities, electron
26 affinities, historical data, ionization energies, natural isotopes,
27 oxidation states, and thermal properties.
28
29 Natural isotopes data include mass number, relative atomic mass and
30 percent natural abundance for each isotope of an element.
31
32 PARAMETERS
33 ElementIDs *ElementSymbol [AtomicNumber...] | GroupLabel [GroupLabel...]
34 | GroupNumbel [GroupNumber...] | PeriodNumber [PeriodNumbe...]*
35 Command line specification of elements is mode specific. In general,
36 it's a space delimited list of values to identify elements. All
37 element IDs must correspond to a specific mode; mixed specifications
38 is not supported.
39
40 For *ElementID* mode, input value format is: *AtomicNumber
41 [ElementSymbol ...]*. Default: *H*. Examples:
42
43 C
44 6
45 C N O P S Cl
46 6 7 8 15 16 17
47 C 7 8 15 S 17
48
49 For *AmericanGroupLabel* mode, input value format is: *GroupLabel
50 [GroupLabel ...]*. Default: *IA*. Possible group label values are:
51 *IA IIA IIIB IVB VB VIB VIIB VIII or VIIIB IB IIB IIIA IVA VA, VIA,
52 VIIA, VIIA*. Examples:
53
54 IA
55 IA IVA IIB
56
57 For *EuropeanGroupLabel* mode, input value format is: *GroupLabel
58 [GroupLabel ...]*. Default: *IA*. Possible group label values are:
59 *IA IIA IIIA IVA VA VIA VIIA VIII or VIIIA IB IIB IIIB IVB VB, VIB
60 VIIB VIIB*. Examples:
61
62 IA
63 IA IVB IIB
64
65 For IUPAC *GroupNumber* mode, input value format is: *GroupNumber
66 [GroupNumber...]*. Default: *1*. Possible group label values are: *1
67 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18*. Examples:
68
69 1
70 1 14 12
71
72 For *GroupName* mode, input value format is: *GroupName
73 [GroupName...]*. Default: *AlkaliMetals*. Possible group name values
74 are: *AlkaliMetals AlkalineEarthMetals Chalcogens CoinageMetals
75 Halogens NobleGases Pnictogens Lanthanides or Lanthanoids, Actinides
76 or Actinoids*. Examples:
77
78 AlkaliMetals
79 AlkaliMetals Halogens NobleGases
80
81 For *PeriodNumber* mode, input value format is: *PeriodNumber
82 [PeriodNumber,...]*. Default: *1*. Possible group label values are:
83 *1 2 3 4 5 6 7*. Examples:
84
85 1
86 1 2 3
87
88 For *All* mode, no input value is needed and atomic properties
89 information is listed for all the elements.
90
91 OPTIONS
92 -h, --help
93 Print this help message.
94
95 -m, --mode *ElementID | AmericanGroupLabel | EuropeanGroupLabel |
96 GroupNumber | GroupName | PeriodNumber | All*
97 Specify elements for listing atomic properties using one of these
98 methods: atomic numbers and/or element symbols list, American style
99 group labels, European style group labels, IUPAC group number, group
100 names, period numbers, or all elements.
101
102 Possible values: *ElementID, AmericanGroupLabel, EuropeanGroupLabel,
103 GroupNumber, GroupName, PeriodNumber, All*. Default: *ElementID*.
104
105 --outdelim *comma | tab | semicolon*
106 Output text file delimiter. Possible values: *comma, tab, or
107 semicolon* Default value: *comma*.
108
109 --output *STDOUT | File*
110 List information at STDOUT or write it to a file. Possible values:
111 *STDOUT or File*. Default: *STDOUT*. -r, --root option is used to
112 generate output file name.
113
114 --outputstyle *ElementBlock | ElementRows*
115 Specify how to list element information: add a new line for each
116 property and present it as a block for each element; or include all
117 properties in one line and show it as a single line.
118
119 Possible values: *ElementBlock | ElementRows*. Default:
120 *ElementBlock*
121
122 An example for *ElementBlock* output style:
123
124 Atomic number: 1
125 Element symbol: H
126 Element name: Hydrogen
127 Atomic weight: 1.00794
128 ... ...
129 ... ...
130
131 Atomic number: 6
132 Element symbol: C
133 Element name: Carbon
134 Atomic weight: 12.0107
135 ... ...
136 ... ...
137
138 An example for *ElementRows* output style:
139
140 Atomic number, Element symbol, Elemenet name, Atomic weight, ...
141 1,H,Hydrogen,1.00794,..
142 6,C,Carbon,12.0107,..
143
144 -o, --overwrite
145 Overwrite existing files.
146
147 --precision *number*
148 Precision for listing numerical values. Default: up to *4* decimal
149 places. Valid values: positive integers.
150
151 --propertiesmode *Categories | Names | All*
152 Specify how property names are specified: use category names;
153 explicit list of property names; or use all available properties.
154 Possible values: *Categories, Names, or All*. Default: *Categories*.
155
156 This option is used in conjunction with -p, --properties option to
157 specify properties of interest.
158
159 -p, --properties *CategoryName,[CategoryName,...] |
160 PropertyName,[PropertyName,...]*
161 This option is --propertiesmode specific. In general, it's a list of
162 comma separated category or property names.
163
164 Specify which atomic properties information to list for the elements
165 specified using command line parameters: list basic and/or isotope
166 information; list all available information; or specify a comma
167 separated list of atomic property names.
168
169 Possible values: *Basic| BasicAndNaturalIsotope | NaturalIsotope |
170 PropertyName,[PropertyName,...]*. Default: *Basic*.
171
172 *Basic* includes: *AtomicNumber, ElementSymbol, ElementName,
173 AtomicWeight, GroundStateConfiguration, GroupNumber, PeriodNumber,
174 FirstIonizationEnergy*.
175
176 *NaturalIsotope* includes: *AtomicNumber, ElementSymbol,
177 ElementName, MassNumber, RelativeAtomicMass, NaturalAbundance*.
178
179 Here is a complete list of available properties:
180 AllenElectronegativity, AllredRochowElectronegativity, AtomicNumber,
181 AtomicRadiusCalculated, AtomicRadiusEmpirical, AtomicWeight, Block,
182 BoilingPoint, BondLength, BrinellHardness, BulkModulus,
183 Classification, CoefficientOfLinearExpansion, Color, CommonValences,
184 LowestCommonValence, HighestCommonValence, CommonOxidationNumbers,
185 LowestCommonOxidationNumber, HighestCommonOxidationNumber,
186 CovalentRadiusEmpirical, CriticalTemperature, DensityOfSolid,
187 DiscoveredAt, DiscoveredBy, DiscoveredWhen, ElectricalResistivity,
188 ElectronAffinity, ElementName, ElementSymbol, EnthalpyOfAtmization,
189 EnthalpyOfFusion, EnthalpyOfVaporization, FirstIonizationEnergy,
190 GroundStateConfiguration, GroundStateLevel, GroupName, GroupNumber,
191 NaturalIsotopeData, MeltingPoint, MineralHardness, MolarVolume,
192 MullikenJaffeElectronegativity, OriginOfName,
193 PaulingElectronegativity, PeriodNumber, PoissonsRatio, Reflectivity,
194 RefractiveIndex, RigidityModulus, SandersonElectronegativity,
195 StandardState, SuperconductionTemperature, ThermalConductivity,
196 VanderWaalsRadius, VelocityOfSound, VickersHardness, YoungsModulus.
197
198 --propertieslisting *ByGroup | Alphabetical*
199 Specify how to list properties for elements: group by category or an
200 alphabetical by property names. Possible values: *ByGroup or
201 Alphabetical*. Default: *ByGroup*. During *Alphabetical* listing,
202 element identification data - *AtomicNumber, ElementSymbol,
203 ElementName* - is show first, and natural isotope data -
204 *MassNumber, RelativeAtomicMass, NaturalAbundance* - is listed in
205 the end.
206
207 -q, --quote *yes | no*
208 Put quotes around column values in output text file. Possible
209 values: *yes or no*. Default value: *yes*.
210
211 -r, --root *rootname*
212 New text file name is generated using the root: <Root>.<Ext>. File
213 name is only used during *File* value of -o, --output option.
214
215 Default file name: PeriodicTableElementsInfo<mode>.<Ext>. The csv,
216 and tsv <Ext> values are used for comma/semicolon, and tab delimited
217 text files respectively.
218
219 -w, --workingdir *dirname*
220 Location of working directory. Default: current directory.
221
222 EXAMPLES
223 To list basic atomic properties information for element H, type:
224
225 % InfoPeriodicTableElements.pl
226
227 To list basic atomic properties information for elements C,N,O and F,
228 type:
229
230 % InfoPeriodicTableElements.pl C N O F
231
232 To list all available atomic properties information for elements C,N,O
233 and F, type:
234
235 % InfoPeriodicTableElements.pl --propertiesmode all 6 N O 9
236
237 To list basic and natural isotope information for elements C,N,O and F,
238 type:
239
240 % InfoPeriodicTableElements.pl --propertiesmode Categories
241 --properties BasicAndNaturalIsotope C N O F
242
243 To list AtomicNumber, ElementName, AtomicWeight and CommonValences
244 information for elements C,N,O and F, type:
245
246 % InfoPeriodicTableElements.pl --propertiesmode Names
247 --properties AtomicNumber,ElementName,AtomicWeight,CommonValences
248 C N O F
249
250 To alphabetically list basic and natural isotope information for
251 elements C,N,O and F in rows instead of element blocks with quotes
252 around the values, type:
253
254 % InfoPeriodicTableElements.pl --propertiesmode Categories
255 --properties BasicAndNaturalIsotope --propertieslisting alphabetical
256 --outdelim comma --outputstyle ElementRows --quote yes C N O F
257
258 To alphabetically list all available atomic information for elements
259 C,N,O and F in rows instead of element blocks with quotes around the
260 values and write them into a file ElementProperties.csv, type:
261
262 % InfoPeriodicTableElements.pl --propertiesmode Categories
263 --properties BasicAndNaturalIsotope --propertieslisting alphabetical
264 --outdelim comma --outputstyle ElementRows --quote yes
265 --output File -r ElementsProperties -o -m All
266
267 To list basic atomic properties information for elements in groups IA
268 and VIA using American style group labels, type:
269
270 % InfoPeriodicTableElements.pl -m AmericanGroupLabel IA VIA
271
272 To list basic atomic properties information for elements in groups IA
273 and VB using European style group labels, type:
274
275 % InfoPeriodicTableElements.pl -m AmericanGroupLabel IA VB
276
277 To list basic atomic properties information for elements in groups
278 Halogens and NobleGases, type:
279
280 % InfoPeriodicTableElements.pl -m GroupName Halogens NobleGases
281
282 AUTHOR
283 Manish Sud <msud@san.rr.com>
284
285 SEE ALSO
286 InfoAminoAcids.pl InfoNucleicAcids.pl
287
288 COPYRIGHT
289 Copyright (C) 2015 Manish Sud. All rights reserved.
290
291 This file is part of MayaChemTools.
292
293 MayaChemTools is free software; you can redistribute it and/or modify it
294 under the terms of the GNU Lesser General Public License as published by
295 the Free Software Foundation; either version 3 of the License, or (at
296 your option) any later version.
297