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.\" ========================================================================
.\"
.IX Title "INFOPERIODICTABLEELEMENTS 1"
.TH INFOPERIODICTABLEELEMENTS 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
.\" For nroff, turn off justification.  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 <[e-mail]>
.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.