element <region> (global)

Namespace:	http://www.xml-cml.org/schema/cml2/react
Type:	anonymous complexType
Content:	empty, 8 attributes
Defined:	globally in cmlreact.xsd; see XML source
Used:	never

XML Representation Summary

<region

atomSetRef	=	xsd:string
box3	=	list of xsd:float
convention	=	xsd:string
dictRef	=	xsd:string
id	=	xsd:string
regionRefs	=	xsd:string
sphere3	=	list of xsd:float
title	=	xsd:string

Annotation

<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 ro 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"/>

XML Source (see within schema source)

<xsd:element id="el.region" name="region">

<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 ro 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:sequence/>

<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:complexType>

</xsd:element>

Attribute Detail (all declarations; 8/8)

atomSetRef

Type:	refType
Use:	optional
Defined:	locally within atomSetRef attributeGroup

<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>

XML Source (see within schema source)

<xsd:attribute id="att.atomSetRef" name="atomSetRef" type="refType">

<xsd:annotation>

<xsd:documentation>

<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>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

box3

Type:	box3Type
Use:	optional
Defined:	locally within box3 attributeGroup

<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>

XML Source (see within schema source)

<xsd:attribute id="att.box3" name="box3" type="box3Type">

<xsd:annotation>

<xsd:documentation>

<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>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

convention

Type:	namespaceRefType
Use:	optional
Defined:	locally within convention attributeGroup

<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" href="convGroup1.xml" id="ex"/>

XML Source (see within schema source)

<xsd:attribute id="att.convention" name="convention" type="namespaceRefType">

<xsd:annotation>

<xsd:documentation>

<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" href="convGroup1.xml" id="ex"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

dictRef

Type:	namespaceRefType
Use:	optional
Defined:	locally within dictRef attributeGroup

<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 document containing _entry_ elements and validated against STMML Schema. <h:p>Where there is concern about the dictionary becoming separated from the document 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"/>

XML Source (see within schema source)

<xsd:attribute id="att.dictRef" name="dictRef" type="namespaceRefType">

<xsd:annotation>

<xsd:documentation>

<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 document containing _entry_ elements and validated against STMML Schema.

<h:p>

Where there is concern about the dictionary becoming separated from the document 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"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

Type:	idType
Use:	optional
Defined:	locally within id attributeGroup

<h:div class="summary">An attribute providing a unique ID for an element.</h:div> <h:div class="description"/>

XML Source (see within schema source)

<xsd:attribute id="att.id" name="id" type="idType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

An attribute providing a unique ID for an element.

</h:div>

<h:div class="description"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

regionRefs

Type:	refType
Use:	optional
Defined:	locally within regionRefs attributeGroup

<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>

XML Source (see within schema source)

<xsd:attribute id="att.regionRefs" name="regionRefs" type="refType">

<xsd:annotation>

<xsd:documentation>

<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>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

sphere3

Type:	sphere3Type
Use:	optional
Defined:	locally within sphere3 attributeGroup

<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>

XML Source (see within schema source)

<xsd:attribute id="att.sphere3" name="sphere3" type="sphere3Type">

<xsd:annotation>

<xsd:documentation>

<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>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

title

Type:	xsd:string, predefined
Use:	optional
Defined:	locally within title attributeGroup

<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"/>

XML Source (see within schema source)

<xsd:attribute id="att.title" name="title" type="xsd:string">

<xsd:annotation>

<xsd:documentation>

<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"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

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