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diff mayachemtools/docs/modules/man3/PeriodicTable.3 @ 0:73ae111cf86f draft
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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 11:55:01 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mayachemtools/docs/modules/man3/PeriodicTable.3 Wed Jan 20 11:55:01 2016 -0500 @@ -0,0 +1,388 @@ +.\" 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" +PeriodicTable +.SH "SYNOPSIS" +.IX Header "SYNOPSIS" +use PeriodicTable; +.PP +use PeriodicTable qw(:all); +.SH "DESCRIPTION" +.IX Header "DESCRIPTION" +\&\fBPeriodicTable\fR module provides the following functions: +.PP +GetElementMostAbundantNaturalIsotopeData, +GetElementMostAbundantNaturalIsotopeMass, +GetElementMostAbundantNaturalIsotopeMassNumber, GetElementNaturalIsotopeAbundance, +GetElementNaturalIsotopeCount, GetElementNaturalIsotopeMass, +GetElementNaturalIsotopesData, GetElementPropertiesData, +GetElementPropertiesNames, GetElementPropertiesNamesAndUnits, +GetElementPropertyUnits, GetElements, GetElementsByAmericanStyleGroupLabel, +GetElementsByEuropeanStyleGroupLabel, GetElementsByGroupName, +GetElementsByGroupNumber, GetElementsByPeriodNumber, +GetIUPACGroupNumberFromAmericanStyleGroupLabel, +GetIUPACGroupNumberFromEuropeanStyleGroupLabel, IsElement, +IsElementNaturalIsotopeMassNumber, IsElementProperty +.SH "METHODS" +.IX Header "METHODS" +.IP "\fBGetElements\fR" 4 +.IX Item "GetElements" +.Vb 2 +\& @ElementSymbols = GetElements(); +\& $ElementSymbolsRef = GetElements(); +.Ve +.Sp +Returns an array or a reference to an array of known element symbols +.IP "\fBGetElementsByGroupName\fR" 4 +.IX Item "GetElementsByGroupName" +.Vb 2 +\& @ElementSymbols = GetElementsByGroupName($GroupName); +\& $ElementSymbolsRef = GetElementsByGroupName($GroupName); +.Ve +.Sp +Returns an array or a reference to an array of element symbols for a specified \fIGroupName\fR. +Supported \fIGroupName\fR values are: \fIAlkali metals, Alkaline earth metals, Coinage metals, Pnictogens, +Chalcogens, Halogens, Noble gases\fR; Additionally, usage of \fILanthanides\fR (Lanthanoids) +and \fIActinides\fR (Actinoids) is also supported. +.IP "\fBGetElementsByGroupNumber\fR" 4 +.IX Item "GetElementsByGroupNumber" +.Vb 2 +\& @ElementSymbols = GetElementsByGroupNumber($GroupNumber); +\& $ElementSymbolsRef = GetElementsByGroupNumber($GroupNumber); +.Ve +.Sp +Returns an array or a reference to an array of element symbols for a specified \fIGroupNumber\fR +.IP "\fBGetElementsByAmericanStyleGroupLabel\fR" 4 +.IX Item "GetElementsByAmericanStyleGroupLabel" +.Vb 2 +\& @ElementSymbols = GetElementsByAmericanStyleGroupLabel($GroupLabel); +\& $ElementSymbolsRef = GetElementsByAmericanStyleGroupLabel($GroupLabel); +.Ve +.Sp +Returns an array or a reference to an array of element symbols for a specified American +style \fIGroupLabel\fR. Valid values for Amercian style group labels: \fI\s-1IA\s0 to \s-1VIIIA\s0, \s-1IB\s0 to \s-1VIIIB\s0, \s-1VIII\s0\fR. +.IP "\fBGetElementsByEuropeanStyleGroupLabel\fR" 4 +.IX Item "GetElementsByEuropeanStyleGroupLabel" +.Vb 2 +\& @ElementSymbols = GetElementsByEuropeanStyleGroupLabel($GroupLabel); +\& $ElementSymbolsRef = GetElementsByEuropeanStyleGroupLabel($GroupLabel); +.Ve +.Sp +Returns an array or a reference to an array of element symbols for a specified European +style \fIGroupLabel\fR. Valid values for European style group labels: \fI\s-1IA\s0 to \s-1VIIIA\s0, \s-1IB\s0 to \s-1VIIIB\s0, \s-1VIII\s0\fR. +.IP "\fBGetElementsByPeriodNumber\fR" 4 +.IX Item "GetElementsByPeriodNumber" +.Vb 2 +\& @ElementSymbols = GetElementsByPeriodNumber($PeriodNumber); +\& $ElementSymbolsRef = GetElementsByPeriodNumber($PeriodNumber); +.Ve +.Sp +Returns an array or a reference to an array of element symbols for a specified \fIPeriodNumber\fR. +.IP "\fBGetElementMostAbundantNaturalIsotopeData\fR" 4 +.IX Item "GetElementMostAbundantNaturalIsotopeData" +.Vb 4 +\& @IsotopeData = GetElementMostAbundantNaturalIsotopeData( +\& $ElementID); +\& $IsotopeDataRef = GetElementMostAbundantNaturalIsotopeData( +\& $ElementID); +.Ve +.Sp +Returns an array or reference to an array containing data for most abundant isotope of +an element specfied by element symbol or atomic number. Isotope data arrays contain these +values: \fIAtomicNumber, IsotopeSymbol, MassNumber, RelativeAtomicMass, and NaturalAbundance\fR. +.IP "\fBGetElementMostAbundantNaturalIsotopeMassNumber\fR" 4 +.IX Item "GetElementMostAbundantNaturalIsotopeMassNumber" +.Vb 1 +\& $MassNumber = GetElementMostAbundantNaturalIsotopeMassNumber($ElementID); +.Ve +.Sp +Returns mass number of most abundant natural isotope of an element specfied by element +symbol or atomic number +.IP "\fBGetElementNaturalIsotopeCount\fR" 4 +.IX Item "GetElementNaturalIsotopeCount" +.Vb 1 +\& $IsotopeCount = GetElementNaturalIsotopeCount($ElementID); +.Ve +.Sp +Returns natural isotope count for an element specfied by element symbol or +atomic number +.IP "\fBGetElementNaturalIsotopesData\fR" 4 +.IX Item "GetElementNaturalIsotopesData" +.Vb 2 +\& $DataHashRef = GetElementNaturalIsotopesData($ElementID, +\& [$MassNumber]); +.Ve +.Sp +Reurns a reference to a hash containingall available isotope data for an element specified +using element symbol or aromic number; an optional mass number indicates retrieve data +for a specific isotope +.IP "\fBGetElementNaturalIsotopeAbundance\fR" 4 +.IX Item "GetElementNaturalIsotopeAbundance" +.Vb 2 +\& $Abundance = GetElementNaturalIsotopeAbundance($ElementID, +\& $MassNumber); +.Ve +.Sp +Returns percent abundance of natural isotope for an element with specfic mass +number. +.IP "\fBGetElementMostAbundantNaturalIsotopeMass\fR" 4 +.IX Item "GetElementMostAbundantNaturalIsotopeMass" +.Vb 2 +\& $RelativeAtomicMass = GetElementMostAbundantNaturalIsotopeMass( +\& $ElementID); +.Ve +.Sp +Returns relative atomic mass of most abundant isotope for an element specified using +element symbol or aromic number. +.IP "\fBGetElementNaturalIsotopeMass\fR" 4 +.IX Item "GetElementNaturalIsotopeMass" +.Vb 2 +\& $RelativeAtomicMass = GetElementNaturalIsotopeMass($ElementID, +\& $MassNumber); +.Ve +.Sp +Returns relative atomic mass of an element with specfic mass number. +.IP "\fBGetElementPropertiesData\fR" 4 +.IX Item "GetElementPropertiesData" +.Vb 1 +\& $PropertyDataHashRef = GetElementPropertiesData($ElementID); +.Ve +.Sp +Returns a reference to a hash containing all available properties data for an element +specified using element symbol or atomic number. +.IP "\fBGetElementPropertyName\fR" 4 +.IX Item "GetElementPropertyName" +.Vb 1 +\& $PropertyValue = GetElement<PropertyName>($ElementID); +.Ve +.Sp +Returns value of an element for a element specified using element symbol or atomic number. +.Sp +These functions are not defined in this modules; these are implemented on-the-fly using +Perl's \s-1AUTOLOAD\s0 funcionality. +.Sp +Here is the list of known element \fIproperty names\fR: 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 "\fBGetElementPropertiesNames\fR" 4 +.IX Item "GetElementPropertiesNames" +.Vb 2 +\& @PropertyNames = GetElementPropertiesNames([$Mode]); +\& $PropertyNamesRef = GetElementPropertiesNames([$Mode]); +.Ve +.Sp +Returns names of all available element properties. Optional mode parameter controls +grouping of property names; Possible values: \fIByGroup or Alphabetical\fR. Default: +\&\fIByGroup\fR. +.IP "\fBGetElementPropertiesNamesAndUnits\fR" 4 +.IX Item "GetElementPropertiesNamesAndUnits" +.Vb 1 +\& $NameUnitsHashRef = GetElementPropertiesNamesAndUnits(); +.Ve +.Sp +Returns a reference to a hash of property names and units of all available element +properties. Names with no units contains empty strings. +.IP "\fBGetElementPropertyUnits\fR" 4 +.IX Item "GetElementPropertyUnits" +.Vb 1 +\& $Units = GetElementPropertyUnits($PropertyName); +.Ve +.Sp +Returns units for a specific element property name. An empty string is returned for +a property with no units. +.IP "\fBGetIUPACGroupNumberFromAmericanStyleGroupLabel\fR" 4 +.IX Item "GetIUPACGroupNumberFromAmericanStyleGroupLabel" +.Vb 2 +\& $GroupNumber = GetIUPACGroupNumberFromAmericanStyleGroupLabel( +\& $GroupLabel); +.Ve +.Sp +Returns \s-1IUPAC\s0 group numbers of a specific American style group label. A comma delimited +string is returned for group \s-1VIII\s0 or \s-1VIIIB\s0. +.IP "\fBGetIUPACGroupNumberFromEuropeanStyleGroupLabel\fR" 4 +.IX Item "GetIUPACGroupNumberFromEuropeanStyleGroupLabel" +.Vb 2 +\& $GroupNumber = GetIUPACGroupNumberFromEuropeanStyleGroupLabel( +\& $GroupLabel); +.Ve +.Sp +Returns \s-1IUPAC\s0 group numbers of a specific European style group label. A comma delimited +string is returned for group \s-1VIII\s0 or \s-1VIIIA\s0. +.IP "\fBIsElement\fR" 4 +.IX Item "IsElement" +.Vb 1 +\& $Status = IsElement($ElementID); +.Ve +.Sp +Returns 1 or 0 based on whether it's a known element symbol or atomic number. +.IP "\fBIsElementNaturalIsotopeMassNumber\fR" 4 +.IX Item "IsElementNaturalIsotopeMassNumber" +.Vb 1 +\& $Status = IsElementNaturalIsotopeMassNumber($ElementID, $MassNumber); +.Ve +.Sp +Returns 1 or 0 based on whether it's a valid mass number for an element symbol +or atomic number. +.IP "\fBIsElementProperty\fR" 4 +.IX Item "IsElementProperty" +.Vb 1 +\& $Status = IsElementProperty($PropertyName); +.Ve +.Sp +Returns 1 or 0 based on whether it's a valid property name. +.SH "AUTHOR" +.IX Header "AUTHOR" +Manish Sud <msud@san.rr.com> +.SH "SEE ALSO" +.IX Header "SEE ALSO" +AminoAcids.pm, NucleicAcids.pm +.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.