NAME
    GPStr - Glycerolipids (GP) structure generation methods

SYNOPSIS
    use GPStr;

    use GPStr qw(:all);

DESCRIPTION
    GPStr module provides these methods:

        ExpandGPCmpdAbbrevs - Expand GP abbreviation
        GenerateCmpdOntologyData - Generate ontology data
        GenerateCmpdOntologySDDataLines - Generate ontology data lines for SD file
        GenerateGPChainStrData - Generate chain structure data
        GenerateSDFile - Generate SD file
        GetGPTemplatesData - Get templates data
        GetGPSupportedHeadGroupMap - Get supported headgroups data
        GetGPTemplateID - Get templates ID
        IsGPChainsAbbrevSupported - Is it a supported GP abbreviation
        ParseGPAbbrev - Parse GP abbreviation
        SetupGPCmpdAbbrevTemplateDataMap - Setup template structure data map
        ValidateGPAbbrev - Validate GL abbreviation

METHODS
    ExpandGPCmpdAbbrevs
            $ExpandedAbbrevArrayRef = ExpandGPCmpdAbbrevs($CmpdAbbrev);

        Return a reference to an array containing complete GP abbreviations.
        Wild card characters in GP abbreviation name are expanded to
        generate fully qualified GP abbreviations.

    GenerateCmpdOntologyData
            $DataHashRef = GenerateCmpdOntologyData($CmpDataRef);

        Return a reference to a hash containing ontology data with hash keys
        and values corresponding to property names and values.

    GenerateCmpdOntologySDDataLines
            $DataLinesArrayRef = GenerateCmpdOntologySDDataLines($CmpdDataRef);

        Return a reference to an array containing ontology data lines
        suitable for generate SD file data block.

    GenerateGPChainStrData
            ($AtomLinesArrayRef, $BondLinesArrayRef) =
               GenerateGPChainStrData($ChainType, $CmpdDataRef);

        Return array references containing atom and bond data lines for SD
        file. Appropriate atom and bond data lines are generated using chain
        type and abbreviation template data.

    GenerateSDFile
            GenerateSDFile($SDFileName, $CmdAbbrevsRef);

        Generate a SD file for compound abbreviations. Structure data for
        specified abbreviation is generated sequentially and written to SD
        file.

    GetGPTemplatesData
            $TemplatesDataRef = GetGPTemplatesData();

        Return a reference to a hash containing GP templates data

    GetGPSupportedHeadGroupMap
            $SupportedHeadGroupDataRef = GetGPSupportedHeadGroupMap();

        Return a reference to a hash containing supported head groups data.

    GetGPTemplateID
            $HeadGroupID = GetGPTemplateID($HeadGroupAbbrev, $ChainsAbbrev);

        Return a supported template ID for compound abbreviation.

    IsGPChainsAbbrevSupported
            $Status = IsGPChainsAbbrevSupported($Abbrev, $PrintWarning);

        Return 1 or 0 based on whether GP abbreviated is supported. For
        unsupported GP abbreviations, a warning is printed unless
        PrintWarning flag is set.

    ParseGPAbbrev
            ($HeadGroup, $ChainsAbbrev, $AbbrevModifier) =
               ParseGPAbbrev($Abbrev);

        Parse GP abbreviation and return these values: HeadGroup,
        ChainsAbbrev, AbbrevModifier.

    SetupGPCmpdAbbrevTemplateDataMap
            $AbbrevTemplateDataMapRef =
               SetupGPCmpdAbbrevTemplateDataMap($Abbrev);

        Return a reference to a hash containing template data for compound
        abbreviation. The template data is used to generate SD file for
        compound abbreviation.

    ValidateGPAbbrev
            $Status = ValidateGPAbbrev($Abbrev);

        Return 1 or 0 based on whether a GP abbreviation is valid.

AUTHOR
    Manish Sud

CONTRIBUTOR
    Eoin Fahy

SEE ALSO
    ChainStr.pm

COPYRIGHT
    Copyright (C) 2006. The Regents of the University of California. All
    Rights Reserved.

