element <electron> (global)

Namespace:	http://www.xml-cml.org/schema/cml2/react
Type:	anonymous complexType
Content:	empty, 10 attributes
Defined:	globally in cmlreact.xsd; see XML source
Used:	at 5 locations

XML Representation Summary

<electron

atomRef	=	xsd:string
atomRefs	=	list of xsd:string
bondRef	=	xsd:string
bondRefs	=	list of xsd:string
convention	=	xsd:string
count	=	xsd:double
dictRef	=	xsd:string
id	=	xsd:string
ref	=	xsd:string
title	=	xsd:string

Included in content model of elements (5):

atom, bond, molecule, product, reactant

Known Usage Locations

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

Annotation

<h:div class="summary">An electron.</h:div> <h:div class="description">Since there is very little use of electrons in current chemical information this is a fluid concept. I expect it to be used for electron counting, input and output of theochem operations, descriptions of orbitals, spin states, oxidation states, etc. Electrons can be associated with atoms, bonds and combinations of these. At present there is no hardcoded semantics. However, _atomRef_ and similar attributes can be used to associate electrons with atoms or bond.</h:div> <h:div class="example" href="electron1.xml"/>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">An electron.</h:div>

<h:div class="description">

Since there is very little use of electrons in current chemical information this is a fluid concept. I expect it to be used for electron counting, input and output of theochem operations, descriptions of orbitals, spin states, oxidation states, etc. Electrons can be associated with atoms, bonds and combinations of these. At present there is no hardcoded semantics. However, _atomRef_ and similar attributes can be used to associate electrons with atoms or bond.

</h:div>

<h:div class="example" href="electron1.xml"/>

</xsd:documentation>

</xsd:annotation>

<xsd:complexType>

<xsd:sequence/>

<xsd:attributeGroup ref="title"/>

<xsd:attributeGroup ref="id"/>

<xsd:attributeGroup ref="convention"/>

<xsd:attributeGroup ref="dictRef"/>

<xsd:attributeGroup ref="atomRef"/>

<xsd:attributeGroup ref="atomRefs"/>

<xsd:attributeGroup ref="bondRef"/>

<xsd:attributeGroup ref="bondRefs"/>

<xsd:attributeGroup ref="count"/>

<xsd:attributeGroup ref="ref"/>

</xsd:complexType>

</xsd:element>

Attribute Detail (all declarations; 10/10)

atomRef

Type:	atomRefType
Use:	optional
Defined:	locally within atomRef attributeGroup

<h:div class="summary">A reference to an atom.</h:div> <h:div class="description">Used by bond, electron, etc.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to an atom.</h:div>

<h:div class="description">Used by bond, electron, etc.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

atomRefs

Type:	atomRefArrayType
Use:	optional
Defined:	locally within atomRefs attributeGroup

<h:div class="summary">A reference to a list of atoms.</h:div> <h:div class="description">Used by bonds, electrons, atomSets, etc.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to a list of atoms.</h:div>

<h:div class="description">Used by bonds, electrons, atomSets, etc.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

bondRef

Type:	bondRefType
Use:	optional
Defined:	locally within bondRef attributeGroup

<h:div class="summary">A reference to a bond.</h:div> <h:div class="description">used by electron, etc.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to a bond.</h:div>

<h:div class="description">used by electron, etc.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

bondRefs

Type:	bondRefArrayType
Use:	optional
Defined:	locally within bondRefs attributeGroup

<h:div class="summary">A reference to a list of bonds.</h:div> <h:div class="description">Used by electrons, bondSets, etc.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to a list of bonds.</h:div>

<h:div class="description">Used by electrons, bondSets, etc.</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>

count

Type:	positiveNumberType
Use:	optional
Defined:	locally within count attributeGroup

<h:div class="summary">The count of the object.</h:div> <h:div class="description">No fixed semantics or default, normally integral. It is presumed that the element can be multiplied by the count value.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">The count of the object.</h:div>

<h:div class="description">

No fixed semantics or default, normally integral. It is presumed that the element can be multiplied by the count value.

</h:div>

</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>

ref

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

<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 document. 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/> 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"/>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<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 document. 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.

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"/>

</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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