reactant

<h:div class="summary">A reactant within a reactantList.</h:div>
<h:div class="description">
  <h:tt>reactant</h:tt>describes a reactant species which takes part in a reaction. Catalysts and supports are not normally classified as reactants, but this is subjective. Enzymes (or parts of enzymes) may well be reactants, as could be substances which underwent chemical change but were restored to their original state.
  <h:tt>reactant</h:tt>is a powerful concept as it can support stoichiometry (atom and molecule counting), mapping (for mechanisms), etc. Solvents are best contained within substanceList.</h:div>
<h:div class="example" href="reactant1.xml"/>

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"/>
Wildcard: ANY attribute from ANY namespace OTHER than 'http://www.xml-cml.org/schema'

Source

<xsd:element name="reactant" id="el.reactant" substitutionGroup="anyCml">
  <xsd:annotation>
    <xsd:documentation>
      <h:div class="summary">A reactant within a reactantList.</h:div>
      <h:div class="description">
        <h:tt>reactant</h:tt>describes a reactant species which takes part in a reaction. Catalysts and supports are not normally classified as reactants, but this is subjective. Enzymes (or parts of enzymes) may well be reactants, as could be substances which underwent chemical change but were restored to their original state.
        <h:tt>reactant</h:tt>is a powerful concept as it can support stoichiometry (atom and molecule counting), mapping (for mechanisms), etc. Solvents are best contained within substanceList.</h:div>
      <h:div class="example" href="reactant1.xml"/>
    </xsd:documentation>
  </xsd:annotation>
  <xsd:complexType>
    <xsd:annotation>
      <xsd:documentation>
        <h:div>A reactant will normally be identified by name(s), formula, or molecule and at least one of these should normally be given. Amount(s) of reactant can be given after this identification and can describe mass, volume, etc. but not stoichiometr.</h:div>
      </xsd:documentation>
    </xsd:annotation>
    <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="ref"/>
    <xsd:attributeGroup ref="role">
      <xsd:annotation>
        <xsd:documentation>
          <h:div class="specific">The role of the reactant within a reactantList. Semantics are not yet controlled but could be limiting, oxidant, etc. TODO: a reactant might have multiple roles so this may have to become an element.</h:div>
        </xsd:documentation>
      </xsd:annotation>
    </xsd:attributeGroup>
    <xsd:attributeGroup ref="count">
      <xsd:annotation>
        <xsd:documentation>
          <h:div class="specific">The number of copies of the reactant involved in the stoichiometric reaction. Could be non-integer but should not be used for actual ratios of materials added (for which amount should be used).</h:div>
        </xsd:documentation>
      </xsd:annotation>
    </xsd:attributeGroup>
    <xsd:attributeGroup ref="state"/>
    <xsd:anyAttribute namespace="##other" processContents="lax"/>
  </xsd:complexType>
</xsd:element>

Sample