substance 

<h:div class="summary">A chemical substance.</h:div>
<h:div class="description">
  <h:tt>substance</h:tt>represents a
  <h:i>chemical substance</h:i>which is deliberately very general. It can represent things that may or may not be molecules, can and cannot be stored in bottles and may or may not be microscopic. Solutions and mixtures can be described by _substanceList_s of substances. The
  <h:tt>type</h:tt>attribute can be used to give qualitative information characterising the substance ("granular", "90%", etc.) and _role_ to describe the role in process ("desiccant", "support", etc.). There is currently no controlled vocabulary. Note that
  <h:tt>reaction</h:tt>is likely to have more precise semantics. The amount of a substance is controlled by the optional _amount_ child.</h:div>
<h:div class="example" href="substance1.xml"/>


<h:div class="curation">
  <h:p>Added property as a child 2002-12-29</h:p>
</h:div>

Element Information

Model

anyCml | ANY element from ANY namespace OTHER than 'http://www.xml-cml.org/schema' | ANY element from LOCAL namespace 'No Namespace'
Children: anyCml

Attributes

QName Type Fixed Default Use Inheritable Annotation
convention namespaceRefType optional 
<h:div class="summary">A reference to a convention.</h:div>
<h:div class="description">There is no controlled vocabulary for conventions, but the author must ensure that the semantics are openly available and that there are mechanisms for implementation. The convention is inherited by all the subelements, so that a convention for
  <h:tt>molecule</h:tt>would by default extend to its
  <h:tt>bond</h:tt>and
  <h:tt>atom</h:tt>children. This can be overwritten if necessary by an explicit
  <h:tt>convention</h:tt>.
  <h:p>It may be useful to create conventions with namespaces (e.g.
    <h:tt>iupac:name</h:tt>). Use of
    <h:tt>convention</h:tt>will normally require non-STMML semantics, and should be used with caution. We would expect that conventions prefixed with "ISO" would be useful, such as ISO8601 for dateTimes.</h:p>
  <h:p>There is no default, but the conventions of STMML or the related language (e.g. CML) will be assumed.</h:p>
</h:div>
<h:div class="example" id="ex" href="convGroup1.xml"/>
count positiveNumberType optional 
<h:div class="summary">The count of the object.</h:div>
<h:div class="description">No fixed semantics or default, normally integers. It is presumed that the element can be multiplied by the count value.</h:div>
dictRef namespaceRefType optional 
<h:div class="summary">A reference to a dictionary entry.</h:div>
<h:div class="description">Elements in data instances such as _scalar_ may have a
  <h:tt>dictRef</h:tt>attribute to point to an entry in a dictionary. To avoid excessive use of (mutable) filenames and URIs we recommend a namespace prefix, mapped to a namespace URI in the normal manner. In this case, of course, the namespace URI must point to a real XML doc containing _entry_ elements and validated against STMML Schema.
  <h:p>Where there is concern about the dictionary becoming separated from the doc the dictionary entries can be physically included as part of the data instance and the normal XPointer addressing mechanism can be used.</h:p>
  <h:p>This attribute can also be used on _dictionary_ elements to define the namespace prefix</h:p>
</h:div>
<h:div class="example" href="dictRefGroup1.xml"/>
id idType optional 
<h:div class="summary">A unique ID for an element.</h:div>
<h:div class="description">Id is used for machine identification of elements and in general should not have application semantics. It is similar to the XML ID type as containing only alphanumerics, '_', ',' and '-' and and must start with an alphabetic character. Ids are case sensitive. Ids should be unique within local scope, thus all atoms within a molecule should have unique ids, but separated molecules within a doc (such as a published article) might have identical ids. Software should be able to search local scope (e.g. all atoms within a molecule). However this is under constant review.</h:div>
ref refType optional 
<h:div class="summary">A reference to an element of given type.</h:div>
<h:div class="description">
  <h:tt>ref</h:tt>modifies an element into a reference to an existing element of that type within the doc. This is similar to a pointer and it can be thought of a strongly typed hyperlink. It may also be used for "subclassing" or "overriding" elements.
  <br xmlns=""/>When referring to an element most of the "data" such as attribute values and element content will be on the full instantiated element. Therefore ref (and possibly id) will normally be the only attributes on the pointing element. However there may be some attributes (title, count, etc.) which have useful semantics, but these are element-specific</h:div>
<h:div class="example" href="refGroup1.xml"/>
role xsd:string optional 
<h:div class="summary">Role of the object.</h:div>
<h:div class="description">How the object functions or its position in the architecture. No controlled vocabulary.</h:div>
state stateType optional 
<h:div class="summary">The physical state of the substance.</h:div>
<h:div class="description">No fixed semantics or default.</h:div>
title xsd:string optional 
<h:div class="summary">A title on an element.</h:div>
<h:div class="description">No controlled value.</h:div>
<h:div class="example" href="title1.xml"/>
type xsd:string optional 
<h:div class="summary">Type of the object.</h:div>
<h:div class="description">A qualifier which may affect the semantics of the object.</h:div>
Wildcard: ANY attribute from ANY namespace OTHER than 'http://www.xml-cml.org/schema'

Source 

<xsd:element name="substance" id="el.substance" substitutionGroup="anyCml">
  <xsd:annotation>
    <xsd:documentation>
      <h:div class="summary">A chemical substance.</h:div>
      <h:div class="description">
        <h:tt>substance</h:tt>represents a
        <h:i>chemical substance</h:i>which is deliberately very general. It can represent things that may or may not be molecules, can and cannot be stored in bottles and may or may not be microscopic. Solutions and mixtures can be described by _substanceList_s of substances. The
        <h:tt>type</h:tt>attribute can be used to give qualitative information characterising the substance ("granular", "90%", etc.) and _role_ to describe the role in process ("desiccant", "support", etc.). There is currently no controlled vocabulary. Note that
        <h:tt>reaction</h:tt>is likely to have more precise semantics. The amount of a substance is controlled by the optional _amount_ child.</h:div>
      <h:div class="example" href="substance1.xml"/>
    </xsd:documentation>
    <xsd:documentation>
      <h:div class="curation">
        <h:p>Added property as a child 2002-12-29</h:p>
      </h:div>
    </xsd:documentation>
  </xsd:annotation>
  <xsd:complexType>
    <xsd:choice minOccurs="0" maxOccurs="unbounded">
      <xsd:element ref="anyCml"/>
      <xsd:any namespace="##other" processContents="lax"/>
      <xsd:any namespace="##local" processContents="lax"/>
    </xsd:choice>
    <xsd:attributeGroup ref="dictRef"/>
    <xsd:attributeGroup ref="convention"/>
    <xsd:attributeGroup ref="title"/>
    <xsd:attributeGroup ref="id"/>
    <xsd:attributeGroup ref="type"/>
    <xsd:attributeGroup ref="role">
      <xsd:annotation>
        <xsd:documentation>
          <h:div class="specific">
            <h:tt>role</h:tt>depends on context, and indicates some purpose associated with the substance. It might indicate 'catalyst', 'solvent', 'antoxidant', etc. but is not limited to any vocabulary.</h:div>
        </xsd:documentation>
      </xsd:annotation>
    </xsd:attributeGroup>
    <xsd:attributeGroup ref="ref"/>
    <xsd:attributeGroup ref="count"/>
    <xsd:attributeGroup ref="state"/>
    <xsd:anyAttribute namespace="##other" processContents="lax"/>
  </xsd:complexType>
</xsd:element>

Sample