region

<h:div class="summary">A region of the system.</h:div>
<h:div class="description">Under development. A subdivision of the system to which special protocols or properties may be attached. Typical regions could be defined by the presence of atoms belonging to an atomSet or geometrical boundaries.</h:div>
<h:div class="note">A region element will not always contain other elements, but may have references from other elements. It may create a protocol, e.g. atoms within a region might be replaced by a continuum model or be subject to a field. Semantics yet to be determined.</h:div>
<h:div>Regions can be created by the unions of two or more regions. This allows a region to be built from a series of (say) spheres or boxes filling space.</h:div>
<h:div class="example" href="region1.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
atomSetRef refType optional
<h:div class="summary">An atomSet describing the region.</h:div>
<h:div class="description">Any point falling within atomOffset of any atom in the set lies within the region. This means the region could consist of disjoint fragments.</h:div>
box3 box3Type optional
<h:div class="summary">A parallelipiped box.</h:div>
<h:div class="description">By default the box uses isometric Cartesians axes but can also be linked to lattice Vector. Any point falling within the box or on a boundary is within the regio.</h:div>
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"/>
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>
regionRefs refType optional
<h:div class="summary">A list of regions creating a union.</h:div>
<h:div class="description">The union of a series of regions produces a larger region (possibly disjoint). Any point belonging to any of the referenced regions is a member of this region.</h:div>
sphere3 sphere3Type optional
<h:div class="summary">A sphere.</h:div>
<h:div class="description">Currently describes a region. Any point falling within the sphere or on its surface is within the region.</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="region" id="el.region" substitutionGroup="anyCml">
  <xsd:annotation>
    <xsd:documentation>
      <h:div class="summary">A region of the system.</h:div>
      <h:div class="description">Under development. A subdivision of the system to which special protocols or properties may be attached. Typical regions could be defined by the presence of atoms belonging to an atomSet or geometrical boundaries.</h:div>
      <h:div class="note">A region element will not always contain other elements, but may have references from other elements. It may create a protocol, e.g. atoms within a region might be replaced by a continuum model or be subject to a field. Semantics yet to be determined.</h:div>
      <h:div>Regions can be created by the unions of two or more regions. This allows a region to be built from a series of (say) spheres or boxes filling space.</h:div>
      <h:div class="example" href="region1.xml"/>
    </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="sphere3"/>
    <xsd:attributeGroup ref="box3"/>
    <xsd:attributeGroup ref="atomSetRef"/>
    <xsd:attributeGroup ref="regionRefs"/>
    <xsd:attributeGroup ref="title"/>
    <xsd:attributeGroup ref="id"/>
    <xsd:attributeGroup ref="convention"/>
    <xsd:attributeGroup ref="dictRef"/>
    <xsd:anyAttribute namespace="##other" processContents="lax"/>
  </xsd:complexType>
</xsd:element>

Sample