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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/docs/scripts/man1/InfoPeriodicTableElements.1 Wed Jan 20 09:23:18 2016 -0500 @@ -0,0 +1,429 @@ +.\" Automatically generated by Pod::Man 2.25 (Pod::Simple 3.22) +.\" +.\" Standard preamble: +.\" ======================================================================== +.de Sp \" Vertical space (when we can't use .PP) +.if t .sp .5v +.if n .sp +.. +.de Vb \" Begin verbatim text +.ft CW +.nf +.ne \\$1 +.. +.de Ve \" End verbatim text +.ft R +.fi +.. +.\" Set up some character translations and predefined strings. \*(-- will +.\" give an unbreakable dash, \*(PI will give pi, \*(L" will give a left +.\" double quote, and \*(R" will give a right double quote. \*(C+ will +.\" give a nicer C++. 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Always turn off hyphenation; it makes +.\" way too many mistakes in technical documents. +.if n .ad l +.nh +.SH "NAME" +InfoPeriodicTableElements.pl \- List atomic properties of elements +.SH "SYNOPSIS" +.IX Header "SYNOPSIS" +InfoPeriodicTableElements.pl ElementID(s)... +.PP +InfoPeriodicTableElements.pl [\fB\-h, \-\-help\fR] +[\fB\-m, \-\-mode\fR ElementID | AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName | PeriodNumber | All] +[\fB\-\-outdelim\fR comma | tab | semicolon] [\fB\-\-output\fR \s-1STDOUT\s0 | File] [\fB\-\-outputstyle\fR ElementBlock | ElementRows] +[\fB\-o, \-\-overwrite\fR] [\fB\-\-precision\fR number] [\fB\-\-propertiesmode\fR Categories | Names | All] +[\fB\-p, \-\-properties\fR CategoryName,[CategoryName,...] | PropertyName,[PropertyName,...]] +[\fB\-\-propertieslinting\fR ByGroup | Alphabetical] [\fB\-q, \-\-quote\fR yes | no] [\fB\-r, \-\-root\fR rootname] +[\fB\-w, \-\-workingdir\fR dirname] ElementID(s)... +.SH "DESCRIPTION" +.IX Header "DESCRIPTION" +List atomic properties of elements in the periodic table. A variety of methods are available to +specify elements of interest: atomic numbers, element symbols, American or European style group +labels, \s-1IUPAC\s0 group numbers, period numbers, and group names. +.PP +Atomic properties data, in addition to basic information about the periodic table elements, is +also available for these categories: atomic radii, bulk properties, common valences, electronegativities, +electron affinities, historical data, ionization energies, natural isotopes, oxidation states, +and thermal properties. +.PP +Natural isotopes data include mass number, relative atomic mass and percent natural +abundance for each isotope of an element. +.SH "PARAMETERS" +.IX Header "PARAMETERS" +.IP "\fBElementIDs\fR \fIElementSymbol [AtomicNumber...] | GroupLabel [GroupLabel...] | GroupNumbel [GroupNumber...] | PeriodNumber [PeriodNumbe...]\fR" 4 +.IX Item "ElementIDs ElementSymbol [AtomicNumber...] | GroupLabel [GroupLabel...] | GroupNumbel [GroupNumber...] | PeriodNumber [PeriodNumbe...]" +Command line specification of elements is mode specific. In general, it's a space delimited list of values to identify +elements. All element IDs must correspond to a specific mode; mixed specifications is not supported. +.Sp +For \fIElementID\fR mode, input value format is: \fIAtomicNumber [ElementSymbol ...]\fR. Default: \fIH\fR. +Examples: +.Sp +.Vb 5 +\& C +\& 6 +\& C N O P S Cl +\& 6 7 8 15 16 17 +\& C 7 8 15 S 17 +.Ve +.Sp +For \fIAmericanGroupLabel\fR mode, input value format is: \fIGroupLabel [GroupLabel ...]\fR. Default: \fI\s-1IA\s0\fR. Possible +group label values are: \fI\s-1IA\s0 \s-1IIA\s0 \s-1IIIB\s0 \s-1IVB\s0 \s-1VB\s0 \s-1VIB\s0 \s-1VIIB\s0 \s-1VIII\s0 or \s-1VIIIB\s0 \s-1IB\s0 \s-1IIB\s0 \s-1IIIA\s0 \s-1IVA\s0 \s-1VA\s0, +\&\s-1VIA\s0, \s-1VIIA\s0, \s-1VIIA\s0\fR. Examples: +.Sp +.Vb 2 +\& IA +\& IA IVA IIB +.Ve +.Sp +For \fIEuropeanGroupLabel\fR mode, input value format is: \fIGroupLabel [GroupLabel ...]\fR. Default: \fI\s-1IA\s0\fR. Possible +group label values are: \fI\s-1IA\s0 \s-1IIA\s0 \s-1IIIA\s0 \s-1IVA\s0 \s-1VA\s0 \s-1VIA\s0 \s-1VIIA\s0 \s-1VIII\s0 or \s-1VIIIA\s0 \s-1IB\s0 \s-1IIB\s0 \s-1IIIB\s0 \s-1IVB\s0 \s-1VB\s0, +\&\s-1VIB\s0 \s-1VIIB\s0 \s-1VIIB\s0\fR. Examples: +.Sp +.Vb 2 +\& IA +\& IA IVB IIB +.Ve +.Sp +For \s-1IUPAC\s0 \fIGroupNumber\fR mode, input value format is: \fIGroupNumber [GroupNumber...]\fR. Default: \fI1\fR. Possible +group label values are: \fI1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18\fR. Examples: +.Sp +.Vb 2 +\& 1 +\& 1 14 12 +.Ve +.Sp +For \fIGroupName\fR mode, input value format is: \fIGroupName [GroupName...]\fR. Default: \fIAlkaliMetals\fR. Possible +group name values are: \fIAlkaliMetals AlkalineEarthMetals Chalcogens CoinageMetals Halogens +NobleGases Pnictogens Lanthanides or Lanthanoids, Actinides or Actinoids\fR. Examples: +.Sp +.Vb 2 +\& AlkaliMetals +\& AlkaliMetals Halogens NobleGases +.Ve +.Sp +For \fIPeriodNumber\fR mode, input value format is: \fIPeriodNumber [PeriodNumber,...]\fR. Default: \fI1\fR. Possible +group label values are: \fI1 2 3 4 5 6 7\fR. Examples: +.Sp +.Vb 2 +\& 1 +\& 1 2 3 +.Ve +.Sp +For \fIAll\fR mode, no input value is needed and atomic properties information is listed for all the +elements. +.SH "OPTIONS" +.IX Header "OPTIONS" +.IP "\fB\-h, \-\-help\fR" 4 +.IX Item "-h, --help" +Print this help message. +.IP "\fB\-m, \-\-mode\fR \fIElementID | AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName | PeriodNumber | All\fR" 4 +.IX Item "-m, --mode ElementID | AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName | PeriodNumber | All" +Specify elements for listing atomic properties using one of these methods: atomic numbers +and/or element symbols list, American style group labels, European style group labels, \s-1IUPAC\s0 +group number, group names, period numbers, or all elements. +.Sp +Possible values: \fIElementID, AmericanGroupLabel, EuropeanGroupLabel, GroupNumber, +GroupName, PeriodNumber, All\fR. Default: \fIElementID\fR. +.IP "\fB\-\-outdelim\fR \fIcomma | tab | semicolon\fR" 4 +.IX Item "--outdelim comma | tab | semicolon" +Output text file delimiter. Possible values: \fIcomma, tab, or semicolon\fR +Default value: \fIcomma\fR. +.IP "\fB\-\-output\fR \fI\s-1STDOUT\s0 | File\fR" 4 +.IX Item "--output STDOUT | File" +List information at \s-1STDOUT\s0 or write it to a file. Possible values: \fI\s-1STDOUT\s0 or File\fR. Default: +\&\fI\s-1STDOUT\s0\fR. \fB\-r, \-\-root\fR option is used to generate output file name. +.IP "\fB\-\-outputstyle\fR \fIElementBlock | ElementRows\fR" 4 +.IX Item "--outputstyle ElementBlock | ElementRows" +Specify how to list element information: add a new line for each property and present it as a block +for each element; or include all properties in one line and show it as a single line. +.Sp +Possible values: \fIElementBlock | ElementRows\fR. Default: \fIElementBlock\fR +.Sp +An example for \fIElementBlock\fR output style: +.Sp +.Vb 6 +\& Atomic number: 1 +\& Element symbol: H +\& Element name: Hydrogen +\& Atomic weight: 1.00794 +\& ... ... +\& ... ... +\& +\& Atomic number: 6 +\& Element symbol: C +\& Element name: Carbon +\& Atomic weight: 12.0107 +\& ... ... +\& ... ... +.Ve +.Sp +An example for \fIElementRows\fR output style: +.Sp +.Vb 3 +\& Atomic number, Element symbol, Elemenet name, Atomic weight, ... +\& 1,H,Hydrogen,1.00794,.. +\& 6,C,Carbon,12.0107,.. +.Ve +.IP "\fB\-o, \-\-overwrite\fR" 4 +.IX Item "-o, --overwrite" +Overwrite existing files. +.IP "\fB\-\-precision\fR \fInumber\fR" 4 +.IX Item "--precision number" +Precision for listing numerical values. Default: up to \fI4\fR decimal places. +Valid values: positive integers. +.IP "\fB\-\-propertiesmode\fR \fICategories | Names | All\fR" 4 +.IX Item "--propertiesmode Categories | Names | All" +Specify how property names are specified: use category names; explicit list of property names; or +use all available properties. Possible values: \fICategories, Names, or All\fR. Default: \fICategories\fR. +.Sp +This option is used in conjunction with \fB\-p, \-\-properties\fR option to specify properties of +interest. +.IP "\fB\-p, \-\-properties\fR \fICategoryName,[CategoryName,...] | PropertyName,[PropertyName,...]\fR" 4 +.IX Item "-p, --properties CategoryName,[CategoryName,...] | PropertyName,[PropertyName,...]" +This option is \fB\-\-propertiesmode\fR specific. In general, it's a list of comma separated category or +property names. +.Sp +Specify which atomic properties information to list for the elements specified using command line +parameters: list basic and/or isotope information; list all available information; or specify a comma +separated list of atomic property names. +.Sp +Possible values: \fIBasic| BasicAndNaturalIsotope | NaturalIsotope | PropertyName,[PropertyName,...]\fR. +Default: \fIBasic\fR. +.Sp +\&\fIBasic\fR includes: \fIAtomicNumber, ElementSymbol, ElementName, AtomicWeight, GroundStateConfiguration, +GroupNumber, PeriodNumber, FirstIonizationEnergy\fR. +.Sp +\&\fINaturalIsotope\fR includes: \fIAtomicNumber, ElementSymbol, ElementName, MassNumber, +RelativeAtomicMass, NaturalAbundance\fR. +.Sp +Here is a complete list of available properties: AllenElectronegativity, AllredRochowElectronegativity, AtomicNumber, +AtomicRadiusCalculated, AtomicRadiusEmpirical, AtomicWeight, Block, BoilingPoint, BondLength, +BrinellHardness, BulkModulus, Classification, CoefficientOfLinearExpansion, Color, +CommonValences, LowestCommonValence, HighestCommonValence, +CommonOxidationNumbers, LowestCommonOxidationNumber, HighestCommonOxidationNumber, +CovalentRadiusEmpirical, CriticalTemperature, DensityOfSolid, DiscoveredAt, DiscoveredBy, +DiscoveredWhen, ElectricalResistivity, ElectronAffinity, ElementName, ElementSymbol, EnthalpyOfAtmization, +EnthalpyOfFusion, EnthalpyOfVaporization, FirstIonizationEnergy, GroundStateConfiguration, GroundStateLevel, +GroupName, GroupNumber, NaturalIsotopeData, MeltingPoint, MineralHardness, MolarVolume, +MullikenJaffeElectronegativity, OriginOfName, PaulingElectronegativity, PeriodNumber, PoissonsRatio, +Reflectivity, RefractiveIndex, RigidityModulus, SandersonElectronegativity, StandardState, +SuperconductionTemperature, ThermalConductivity, VanderWaalsRadius, VelocityOfSound, VickersHardness, +YoungsModulus. +.IP "\fB\-\-propertieslisting\fR \fIByGroup | Alphabetical\fR" 4 +.IX Item "--propertieslisting ByGroup | Alphabetical" +Specify how to list properties for elements: group by category or an alphabetical by +property names. Possible values: \fIByGroup or Alphabetical\fR. Default: \fIByGroup\fR. +During \fIAlphabetical\fR listing, element identification data \- \fIAtomicNumber, ElementSymbol, +ElementName\fR \- is show first, and natural isotope data \- \fIMassNumber, RelativeAtomicMass, +NaturalAbundance\fR \- is listed in the end. +.IP "\fB\-q, \-\-quote\fR \fIyes | no\fR" 4 +.IX Item "-q, --quote yes | no" +Put quotes around column values in output text file. Possible values: \fIyes or +no\fR. Default value: \fIyes\fR. +.IP "\fB\-r, \-\-root\fR \fIrootname\fR" 4 +.IX Item "-r, --root rootname" +New text file name is generated using the root: <Root>.<Ext>. File name is only +used during \fIFile\fR value of \fB\-o, \-\-output\fR option. +.Sp +Default file name: PeriodicTableElementsInfo<mode>.<Ext>. The csv, and tsv +<Ext> values are used for comma/semicolon, and tab delimited text files respectively. +.IP "\fB\-w, \-\-workingdir\fR \fIdirname\fR" 4 +.IX Item "-w, --workingdir dirname" +Location of working directory. Default: current directory. +.SH "EXAMPLES" +.IX Header "EXAMPLES" +To list basic atomic properties information for element H, type: +.PP +.Vb 1 +\& % InfoPeriodicTableElements.pl +.Ve +.PP +To list basic atomic properties information for elements C,N,O and F, type: +.PP +.Vb 1 +\& % InfoPeriodicTableElements.pl C N O F +.Ve +.PP +To list all available atomic properties information for elements C,N,O and F, type: +.PP +.Vb 1 +\& % InfoPeriodicTableElements.pl \-\-propertiesmode all 6 N O 9 +.Ve +.PP +To list basic and natural isotope information for elements C,N,O and F, type: +.PP +.Vb 2 +\& % InfoPeriodicTableElements.pl \-\-propertiesmode Categories +\& \-\-properties BasicAndNaturalIsotope C N O F +.Ve +.PP +To list AtomicNumber, ElementName, AtomicWeight and CommonValences information +for elements C,N,O and F, type: +.PP +.Vb 3 +\& % InfoPeriodicTableElements.pl \-\-propertiesmode Names +\& \-\-properties AtomicNumber,ElementName,AtomicWeight,CommonValences +\& C N O F +.Ve +.PP +To alphabetically list basic and natural isotope information for elements C,N,O and F in rows instead of +element blocks with quotes around the values, type: +.PP +.Vb 3 +\& % InfoPeriodicTableElements.pl \-\-propertiesmode Categories +\& \-\-properties BasicAndNaturalIsotope \-\-propertieslisting alphabetical +\& \-\-outdelim comma \-\-outputstyle ElementRows \-\-quote yes C N O F +.Ve +.PP +To alphabetically list all available atomic information for elements C,N,O and F in rows instead of +element blocks with quotes around the values and write them into a file ElementProperties.csv, type: +.PP +.Vb 4 +\& % InfoPeriodicTableElements.pl \-\-propertiesmode Categories +\& \-\-properties BasicAndNaturalIsotope \-\-propertieslisting alphabetical +\& \-\-outdelim comma \-\-outputstyle ElementRows \-\-quote yes +\& \-\-output File \-r ElementsProperties \-o \-m All +.Ve +.PP +To list basic atomic properties information for elements in groups \s-1IA\s0 and \s-1VIA\s0 using American +style group labels, type: +.PP +.Vb 1 +\& % InfoPeriodicTableElements.pl \-m AmericanGroupLabel IA VIA +.Ve +.PP +To list basic atomic properties information for elements in groups \s-1IA\s0 and \s-1VB\s0 using European +style group labels, type: +.PP +.Vb 1 +\& % InfoPeriodicTableElements.pl \-m AmericanGroupLabel IA VB +.Ve +.PP +To list basic atomic properties information for elements in groups Halogens and NobleGases, type: +.PP +.Vb 1 +\& % InfoPeriodicTableElements.pl \-m GroupName Halogens NobleGases +.Ve +.SH "AUTHOR" +.IX Header "AUTHOR" +Manish Sud <msud@san.rr.com> +.SH "SEE ALSO" +.IX Header "SEE ALSO" +InfoAminoAcids.pl InfoNucleicAcids.pl +.SH "COPYRIGHT" +.IX Header "COPYRIGHT" +Copyright (C) 2015 Manish Sud. All rights reserved. +.PP +This file is part of MayaChemTools. +.PP +MayaChemTools is free software; you can redistribute it and/or modify it under +the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free +Software Foundation; either version 3 of the License, or (at your option) +any later version.