diff docs/scripts/txt/InfoPeriodicTableElements.txt @ 0:4816e4a8ae95 draft default tip

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+++ b/docs/scripts/txt/InfoPeriodicTableElements.txt	Wed Jan 20 09:23:18 2016 -0500
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+NAME
+    InfoPeriodicTableElements.pl - List atomic properties of elements
+
+SYNOPSIS
+    InfoPeriodicTableElements.pl ElementID(s)...
+
+    InfoPeriodicTableElements.pl [-h, --help] [-m, --mode ElementID |
+    AmericanGroupLabel | EuropeanGroupLabel | GroupNumber | GroupName |
+    PeriodNumber | All] [--outdelim comma | tab | semicolon] [--output
+    STDOUT | File] [--outputstyle ElementBlock | ElementRows] [-o,
+    --overwrite] [--precision number] [--propertiesmode Categories | Names |
+    All] [-p, --properties CategoryName,[CategoryName,...] |
+    PropertyName,[PropertyName,...]] [--propertieslinting ByGroup |
+    Alphabetical] [-q, --quote yes | no] [-r, --root rootname] [-w,
+    --workingdir dirname] ElementID(s)...
+
+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, IUPAC group
+    numbers, period numbers, and group names.
+
+    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.
+
+    Natural isotopes data include mass number, relative atomic mass and
+    percent natural abundance for each isotope of an element.
+
+PARAMETERS
+    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.
+
+        For *ElementID* mode, input value format is: *AtomicNumber
+        [ElementSymbol ...]*. Default: *H*. Examples:
+
+            C
+            6
+            C N O P S Cl
+            6 7 8 15 16 17
+            C 7 8 15 S 17
+
+        For *AmericanGroupLabel* mode, input value format is: *GroupLabel
+        [GroupLabel ...]*. Default: *IA*. Possible group label values are:
+        *IA IIA IIIB IVB VB VIB VIIB VIII or VIIIB IB IIB IIIA IVA VA, VIA,
+        VIIA, VIIA*. Examples:
+
+            IA
+            IA IVA IIB
+
+        For *EuropeanGroupLabel* mode, input value format is: *GroupLabel
+        [GroupLabel ...]*. Default: *IA*. Possible group label values are:
+        *IA IIA IIIA IVA VA VIA VIIA VIII or VIIIA IB IIB IIIB IVB VB, VIB
+        VIIB VIIB*. Examples:
+
+            IA
+            IA IVB IIB
+
+        For IUPAC *GroupNumber* mode, input value format is: *GroupNumber
+        [GroupNumber...]*. Default: *1*. Possible group label values are: *1
+        2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18*. Examples:
+
+            1
+            1 14 12
+
+        For *GroupName* mode, input value format is: *GroupName
+        [GroupName...]*. Default: *AlkaliMetals*. Possible group name values
+        are: *AlkaliMetals AlkalineEarthMetals Chalcogens CoinageMetals
+        Halogens NobleGases Pnictogens Lanthanides or Lanthanoids, Actinides
+        or Actinoids*. Examples:
+
+            AlkaliMetals
+            AlkaliMetals Halogens NobleGases
+
+        For *PeriodNumber* mode, input value format is: *PeriodNumber
+        [PeriodNumber,...]*. Default: *1*. Possible group label values are:
+        *1 2 3 4 5 6 7*. Examples:
+
+            1
+            1 2 3
+
+        For *All* mode, no input value is needed and atomic properties
+        information is listed for all the elements.
+
+OPTIONS
+    -h, --help
+        Print this help message.
+
+    -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, IUPAC group number, group
+        names, period numbers, or all elements.
+
+        Possible values: *ElementID, AmericanGroupLabel, EuropeanGroupLabel,
+        GroupNumber, GroupName, PeriodNumber, All*. Default: *ElementID*.
+
+    --outdelim *comma | tab | semicolon*
+        Output text file delimiter. Possible values: *comma, tab, or
+        semicolon* Default value: *comma*.
+
+    --output *STDOUT | File*
+        List information at STDOUT or write it to a file. Possible values:
+        *STDOUT or File*. Default: *STDOUT*. -r, --root option is used to
+        generate output file name.
+
+    --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.
+
+        Possible values: *ElementBlock | ElementRows*. Default:
+        *ElementBlock*
+
+        An example for *ElementBlock* output style:
+
+            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
+            ... ...
+            ... ...
+
+        An example for *ElementRows* output style:
+
+            Atomic number, Element symbol, Elemenet name, Atomic weight, ...
+            1,H,Hydrogen,1.00794,..
+            6,C,Carbon,12.0107,..
+
+    -o, --overwrite
+        Overwrite existing files.
+
+    --precision *number*
+        Precision for listing numerical values. Default: up to *4* decimal
+        places. Valid values: positive integers.
+
+    --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: *Categories, Names, or All*. Default: *Categories*.
+
+        This option is used in conjunction with -p, --properties option to
+        specify properties of interest.
+
+    -p, --properties *CategoryName,[CategoryName,...] |
+    PropertyName,[PropertyName,...]*
+        This option is --propertiesmode specific. In general, it's a list of
+        comma separated category or property names.
+
+        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.
+
+        Possible values: *Basic| BasicAndNaturalIsotope | NaturalIsotope |
+        PropertyName,[PropertyName,...]*. Default: *Basic*.
+
+        *Basic* includes: *AtomicNumber, ElementSymbol, ElementName,
+        AtomicWeight, GroundStateConfiguration, GroupNumber, PeriodNumber,
+        FirstIonizationEnergy*.
+
+        *NaturalIsotope* includes: *AtomicNumber, ElementSymbol,
+        ElementName, MassNumber, RelativeAtomicMass, NaturalAbundance*.
+
+        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.
+
+    --propertieslisting *ByGroup | Alphabetical*
+        Specify how to list properties for elements: group by category or an
+        alphabetical by property names. Possible values: *ByGroup or
+        Alphabetical*. Default: *ByGroup*. During *Alphabetical* listing,
+        element identification data - *AtomicNumber, ElementSymbol,
+        ElementName* - is show first, and natural isotope data -
+        *MassNumber, RelativeAtomicMass, NaturalAbundance* - is listed in
+        the end.
+
+    -q, --quote *yes | no*
+        Put quotes around column values in output text file. Possible
+        values: *yes or no*. Default value: *yes*.
+
+    -r, --root *rootname*
+        New text file name is generated using the root: <Root>.<Ext>. File
+        name is only used during *File* value of -o, --output option.
+
+        Default file name: PeriodicTableElementsInfo<mode>.<Ext>. The csv,
+        and tsv <Ext> values are used for comma/semicolon, and tab delimited
+        text files respectively.
+
+    -w, --workingdir *dirname*
+        Location of working directory. Default: current directory.
+
+EXAMPLES
+    To list basic atomic properties information for element H, type:
+
+        % InfoPeriodicTableElements.pl
+
+    To list basic atomic properties information for elements C,N,O and F,
+    type:
+
+        % InfoPeriodicTableElements.pl C N O F
+
+    To list all available atomic properties information for elements C,N,O
+    and F, type:
+
+        % InfoPeriodicTableElements.pl --propertiesmode all 6 N O 9
+
+    To list basic and natural isotope information for elements C,N,O and F,
+    type:
+
+        % InfoPeriodicTableElements.pl --propertiesmode Categories
+          --properties BasicAndNaturalIsotope  C N O F
+
+    To list AtomicNumber, ElementName, AtomicWeight and CommonValences
+    information for elements C,N,O and F, type:
+
+        % InfoPeriodicTableElements.pl --propertiesmode Names
+          --properties AtomicNumber,ElementName,AtomicWeight,CommonValences
+          C N O F
+
+    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:
+
+        % InfoPeriodicTableElements.pl --propertiesmode Categories
+          --properties BasicAndNaturalIsotope --propertieslisting alphabetical
+          --outdelim comma --outputstyle ElementRows --quote yes C N O F
+
+    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:
+
+        % InfoPeriodicTableElements.pl --propertiesmode Categories
+          --properties BasicAndNaturalIsotope --propertieslisting alphabetical
+          --outdelim comma --outputstyle ElementRows --quote yes
+          --output File -r ElementsProperties -o -m All
+
+    To list basic atomic properties information for elements in groups IA
+    and VIA using American style group labels, type:
+
+        % InfoPeriodicTableElements.pl -m AmericanGroupLabel IA VIA
+
+    To list basic atomic properties information for elements in groups IA
+    and VB using European style group labels, type:
+
+        % InfoPeriodicTableElements.pl -m AmericanGroupLabel IA VB
+
+    To list basic atomic properties information for elements in groups
+    Halogens and NobleGases, type:
+
+        % InfoPeriodicTableElements.pl -m GroupName Halogens NobleGases
+
+AUTHOR
+    Manish Sud <[e-mail]>
+
+SEE ALSO
+    InfoAminoAcids.pl InfoNucleicAcids.pl
+
+COPYRIGHT
+    Copyright (C) 2015 Manish Sud. All rights reserved.
+
+    This file is part of MayaChemTools.
+
+    MayaChemTools is free software; you can redistribute it and/or modify it
+    under the terms of the GNU Lesser General Public License as published by
+    the Free Software Foundation; either version 3 of the License, or (at
+    your option) any later version.
+