Documentation for Chemical Markup Language (CML)
Definition Type: Element
Name: atomSet
Namespace: http://www.xml-cml.org/schema
Type: nsA:atomRefArrayType
Containing Schema: schema.xsd
Abstract
Documentation:
A set of references to atoms. An atomSet consists of a number of unique references to atoms throught their ids. atomSets need not be related to molecules (which are generally created by aggregation of explicit atoms). Two or more atomSets may reference the same atom, and atomSets may be empty. atomSets have many potential uses such as: identifying functional groups results of substructure matching identifying atoms with particular roles in a calculation The atomSet may be referenced from elsewhere in the document and you are encouraged to use locally unique id attributes on atomSets.
Collapse XSD Schema Diagram:
Drilldown into size in schema schema_xsd Drilldown into size in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into title in schema schema_xsdXSD Diagram of atomSet in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code: 
<xsd:element name="atomSet" id="el.atomSet">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">A set of references to atoms.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">An atomSet consists of a number of unique references to atoms throught their ids. atomSets need not be related to molecules (which are generally created by aggregation of explicit atoms). Two or more atomSets may reference the same atom, and atomSets may be empty.
         <h:p>atomSets have many potential uses such as:
         <h:ul><h:li>identifying functional groups</h:li>
                        <h:li>results of substructure matching</h:li>
                        <h:li>identifying atoms with particular roles in a calculation</h:li>
                    </h:ul>
                </h:p>
                <h:p>The atomSet may be referenced from elsewhere in the document and you are encouraged to use locally unique id attributes on atomSets.
         </h:p>
            </h:div>
            <h:div class="example" href="atomSet1.xml" xmlns:h="http://www.w3.org/1999/xhtml" />
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:simpleContent>
            <xsd:extension base="atomRefArrayType">
                <xsd:attributeGroup ref="title" />
                <xsd:attributeGroup ref="id" />
                <xsd:attributeGroup ref="convention" />
                <xsd:attributeGroup ref="dictRef" />
                <xsd:attributeGroup ref="size" />
            </xsd:extension>
        </xsd:simpleContent>
    </xsd:complexType>
</xsd:element>
Collapse Child Attributes:
Name Type Default Value Use
title nsA:title (Optional)
id nsA:id (Optional)
convention nsA:convention (Optional)
dictRef nsA:dictRef (Optional)
size nsA:size (Optional)
Collapse Derivation Tree:
Documentation for Chemical Markup Language (CML)

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