diff docs/modules/txt/MDLMolFileIO.txt @ 0:4816e4a8ae95 draft default tip

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+++ b/docs/modules/txt/MDLMolFileIO.txt	Wed Jan 20 09:23:18 2016 -0500
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+NAME
+    MDLMolFileIO
+
+SYNOPSIS
+    use FileIO::MDLMolFileIO;
+
+    use FileIO::MDLMolFileIO qw(:all);
+
+DESCRIPTION
+    MDLMolFIleIO class provides the following methods:
+
+    new, GenerateMoleculeString, IsMDLMolFile, ParseMoleculeString,
+    ReadMolecule, ReadMoleculeString, WriteMolecule
+
+    The following methods can also be used as functions:
+
+    GenerateMoleculeString, IsMDLMolFile, ParseMoleculeString
+
+    Data specific to MDLMolFileIO class not directly used by Molecule, Atom
+    and Bond objects - data label/value pairs, atom SteroParity and so on -
+    is associated to and retrieved from appropriate objects using following
+    methods:
+
+        SetMDL<PropertyName>
+        GetMDL<PropertyName>.
+
+    MDLMolFileIO class is derived from *FileIO* class and uses its methods
+    to support generic file related functionality.
+
+  METHODS
+    new
+            $NewMDLMolFileIO = new FileIO::MDLMolFileIO(%NamesAndValues);
+
+        Using specified *MDLMolFileIO* property names and values hash, new
+        method creates a new object and returns a reference to newly created
+        MDLMolFileIO object.
+
+    GenerateMoleculeString
+            $MoleculeString = $MDLMolFileIO->GenerateMoleculeString($Molecule);
+            $MoleculeString = FileIO::MDLMolFileIO::GenerateMoleculeString($Molecule);
+
+        Returns a MoleculeString in MDLMol format corresponding to
+        *Molecule*.
+
+    IsMDLMolFile
+            $Status = $MDLMolFileIO->IsMDLMolFile($FileName);
+            $Status = FileIO::MDLMolFileIO::IsMDLMolFile($FileName);
+
+        Returns 1 or 0 based on whether *FileName* is a MDLMol file.
+
+    ParseMoleculeString
+            $Molecule = $MDLMolFileIO->ParseMoleculeString($MoleculeString);
+            $Molecule = FileIO::MDLMolFileIO::ParseMoleculeString($MoleculeString);
+
+        Parses *MoleculeString* and returns a Molecule object.
+
+    ReadMolecule
+            $Molecule = $MDLMolFileIO->ReadMolecule($FileHandle);
+
+        Reads data for the compound in a file using already opened
+        *FileHandle*, creates, and returns a Molecule object.
+
+    ReadMoleculeString
+            $MoleculeString = $MDLMolFileIO->ReadMoleculeString($FileHandle);
+
+        Reads data for the compound in a file using already opened
+        *FileHandle* and returns a MoleculeString corresponding to compound
+        structure and other associated data.
+
+    WriteMolecule
+            $MDLMolFileIO->WriteMolecule($Molecule);
+
+        Writes *Molecule* data to a file in MDLMol format and returns
+        MDLMolFileIO.
+
+AUTHOR
+    Manish Sud <[e-mail]>
+
+SEE ALSO
+    MoleculeFileIO.pm, SDFileIO.pm
+
+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.
+