org.xmlcml.noncml
Interface SMILES

All Known Implementing Classes:

SMILESImpl

public interface SMILES

extends NonCMLDocument

read/write SMILES

Field Summary

static int	LINKVECTORSIZE maximum number of concurrent links (SMILES limit is 9);
static java.lang.String[]	SIMPLE_ELEMENTS simple elements which need not be in [...].

Fields inherited from interface org.xmlcml.noncml.NonCMLDocument

JME, MDLMOL, SDF, SMILES, XYZ

Fields inherited from interface org.xmlcml.cml.CMLDocument

PACKAGE_NAME

Fields inherited from interface uk.co.demon.ursus.dom.PMRDocument

PACKAGENAME

Fields inherited from interface org.w3c.dom.Node

ATTRIBUTE_NODE, CDATA_SECTION_NODE, COMMENT_NODE, DOCUMENT_FRAGMENT_NODE, DOCUMENT_NODE, DOCUMENT_TYPE_NODE, ELEMENT_NODE, ENTITY_NODE, ENTITY_REFERENCE_NODE, NOTATION_NODE, PROCESSING_INSTRUCTION_NODE, TEXT_NODE

Method Summary

void	input(java.lang.String smilesString) input from the Smiles String

Methods inherited from interface org.xmlcml.noncml.NonCMLDocument

input, output, setOutputCMLMolecule

Methods inherited from interface org.xmlcml.cml.CMLDocument

debug, getMolecule

Methods inherited from interface org.w3c.dom.Document

createAttribute, createAttributeNS, createCDATASection, createComment, createDocumentFragment, createElement, createElementNS, createEntityReference, createProcessingInstruction, createTextNode, getDoctype, getDocumentElement, getElementById, getElementsByTagName, getElementsByTagNameNS, getImplementation, importNode

Methods inherited from interface org.w3c.dom.Node

appendChild, cloneNode, getAttributes, getChildNodes, getFirstChild, getLastChild, getLocalName, getNamespaceURI, getNextSibling, getNodeName, getNodeType, getNodeValue, getOwnerDocument, getParentNode, getPrefix, getPreviousSibling, hasChildNodes, insertBefore, normalize, removeChild, replaceChild, setNodeValue, setPrefix, supports

Field Detail

SIMPLE_ELEMENTS

public static final java.lang.String[] SIMPLE_ELEMENTS

simple elements which need not be in [...]. They are assumed to be case-sensitive

LINKVECTORSIZE

public static final int LINKVECTORSIZE

maximum number of concurrent links (SMILES limit is 9);

Method Detail

input

public void input(java.lang.String smilesString)
           throws CMLException,
                  java.io.IOException

input from the Smiles String