element <identifier> (global)

Namespace:	http://www.xml-cml.org/schema/cml2/react
Type:	anonymous complexType
Content:	complex, 7 attributes, elem. wildcard
Defined:	globally in cmlreact.xsd; see XML source
Includes:	definition of elem. wildcard
Used:	at 5 locations

XML Representation Summary

<identifier

convention	=	xsd:string
dictRef	=	xsd:string
id	=	xsd:string
tautomeric	=	xsd:string
title	=	xsd:string
value	=	xsd:string
version	=	xsd:string

Content:

{any}*

</identifier>

Included in content model of elements (5):

molecule, product, reactant, reaction, reactionScheme

Known Usage Locations

Within anonymous complexTypes of elements (5):
molecule [ref], product [ref], reactant [ref], reaction [ref], reactionScheme [ref]

Annotation

<h:div class="summary">A structured identifier.</h:div> <h:div class="description"> <h:p>Supports compund identifiers such as IChI. At present uses the V0.9 IChI XML representation verbatim but will almost certainly change with future IChIs. </h:p> <h:p>The inclusion of elements from other namespaces causes problems with validation. The content model is deliberately LAX but the actual elements in IChI will fail the validation as they are not declared in CML.</h:p> For simple scalar values the value attribute can be used with empty content. Where an identifier has several components a series of label elements can be used.</h:div> <h:div class="curation">2003-07-10: Fixed count on identifier children..</h:div> <h:div class="curation">2003-03-12: Added isotopic and atoms..</h:div> <h:div class="example" href="identifier1.xml"/>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A structured identifier.</h:div>

<h:div class="description">

<h:p>

Supports compund identifiers such as IChI. At present uses the V0.9 IChI XML representation verbatim but will almost certainly change with future IChIs.

</h:p>

<h:p>

The inclusion of elements from other namespaces causes problems with validation. The content model is deliberately LAX but the actual elements in IChI will fail the validation as they are not declared in CML.

</h:p>

For simple scalar values the value attribute can be used with empty content. Where an identifier has several components a series of label elements can be used.

</h:div>

<h:div class="curation">2003-07-10: Fixed count on identifier children..</h:div>

<h:div class="curation">2003-03-12: Added isotopic and atoms..</h:div>

<h:div class="example" href="identifier1.xml"/>

</xsd:documentation>

</xsd:annotation>

<xsd:complexType>

<xsd:sequence maxOccurs="unbounded" minOccurs="0">

<xsd:any processContents="lax"/>

</xsd:sequence>

<xsd:attributeGroup ref="value"/>

<xsd:attributeGroup ref="version"/>

<xsd:attributeGroup ref="title"/>

<xsd:attributeGroup ref="id"/>

<xsd:attributeGroup ref="convention"/>

<xsd:attributeGroup ref="dictRef"/>

<xsd:attributeGroup ref="tautomeric"/>

</xsd:complexType>

</xsd:element>

Attribute Detail (all declarations; 7/7)

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>

tautomeric

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

<h:div class="summary">Indicates whether the structure is a tautomer.</h:div> <h:div class="general">Currently used with IChI _identifier_ element. Semantics, vocabulary and usage are application-dependent.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Indicates whether the structure is a tautomer.</h:div>

<h:div class="general">

Currently used with IChI _identifier_ element. Semantics, vocabulary and usage are application-dependent.

</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>

value

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

<h:div class="summary">Value of a scalar object.</h:div> <h:div class="description">The value must be consistent with the dataType of the object.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Value of a scalar object.</h:div>

<h:div class="description">

The value must be consistent with the dataType of the object.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

version

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

<h:div class="summary">The version of the identifier.</h:div> <h:div class="general">The IChI or other identifier may be dependent on the date of release and this attribute is highly recommended.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">The version of the identifier.</h:div>

<h:div class="general">

The IChI or other identifier may be dependent on the date of release and this attribute is highly recommended.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

Content Element Detail (all declarations; 1/1)

{any element with any namespace}

Defined:

within (this) identifier element

XML Source (see within schema source)

<xsd:any processContents="lax"/>

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