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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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| -1:000000000000 | 0:4816e4a8ae95 |
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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 |
