element <reaction> (global)

Namespace:	http://www.xml-cml.org/schema/cml2/react
Type:	anonymous complexType
Content:	complex, 13 attributes, 15 elements
Defined:	globally in cmlreact.xsd; see XML source
Includes:	definitions of 15 elements
Used:	at 4 locations

XML Representation Summary

<reaction

atomMap	=	xsd:QName
bondMap	=	xsd:QName
convention	=	xsd:string
dictRef	=	xsd:string
electronMap	=	xsd:QName
format	=	(("reactantProduct" \| "cmlSnap") \| xsd:string)
id	=	xsd:string
ref	=	xsd:string
role	=	(("complete" \| "overall" \| "rateDeterminingStep" \| "step" \| "steps") \| xsd:string)
state	=	(("aqueous" \| "gas" \| "glass" \| "liquid" \| "nematic" \| "smectic" \| "solid" \| "solidSolution" \| "solution") \| xsd:string)
title	=	xsd:string
type	=	(("chainReaction" \| "initiation" \| "termination" \| "reversible") \| xsd:string)
yield	=	xsd:float

Content:

metadataList*, label*, (name* | identifier*)*, (reactiveCentre*, mechanism*, reactantList*, spectatorList*, substanceList*, conditionList*, transitionState*, productList*, propertyList*, map*, object*)*

</reaction>

Content model elements (15):

conditionList, identifier, label, map, mechanism, metadataList, name, object, productList, propertyList, reactantList, reactiveCentre, spectatorList, substanceList, transitionState

Included in content model of elements (4):

i:reactions, reactionList, reactionScheme, reactionStep

Known Usage Locations

Within anonymous complexTypes of elements (4):
i:reactions [ref], reactionList [ref], reactionScheme [ref], reactionStep [ref]

Annotation

<h:div class="summary">A chemical reaction or reaction step.</h:div> <h:div class="description"> <h:p> <h:tt>reaction</h:tt> is a container for reactants, products, conditions, properties and possibly other information relating to the reaction, often within a reactionList. Partial semantics exist: <h:ul> <h:li> <h:b>name</h:b> the name(s) of the reaction</h:li> <h:li> <h:b>reactantList</h:b> (normally only one) the grouped reactants</h:li> <h:li> <h:b>substance</h:b> or <h:b>substanceList</h:b> substances present in the reaction but not classified as reactants. Examples might be enzymes, catalysts, solvents, supports, workup, etc. </h:li> <h:li> <h:b>condition</h:b> conditions of the reaction. These may be text strings, but ideally will have clearer semantics such as scalars for temperature, etc.</h:li> <h:li> <h:b>productList</h:b> the grouped products. This allows for parallel reactions or other semantics.</h:li> <h:li> <h:b>property</h:b> properties (often physical) associated with the reaction. Examples might be heat of formation, kinetics or equilibrium constant.</h:li> </h:ul> </h:p> </h:div> <h:div> <h:p>Reaction normally refers to an overall reaction or a step within a reactionList. For a complex "reaction", such as in enzymes or chain reactions, it may be best to use <h:tt>reactionScheme</h:tt> to hold the overall <h:tt>reaction</h:tt> and a <h:tt>reactionList</h:tt> of the individual <h:tt>reaction</h:tt> steps.</h:p> </h:div> <h:div class="example" href="reaction1.xml"/> <h:div class="example" href="reaction9a.xml"/> <h:div class="example" href="reaction9b.xml"/> <h:div class="example" href="reaction10a.xml"/> <h:div class="example" href="reaction10b.xml"/> <h:div class="example" href="reaction11.xml"/>

Anonymous Type Detail

Annotation

<h:div> <h:p>The semantics of the content model are</h:p> <h:ul> <h:li>metadataList for general metadata</h:li> <h:li>label for classifying or describing the reaction (e.g. "hydrolysis")</h:li> <h:li>identifier for unique identification. This could be a classification such as EC (enzyme commission) or an IChI-like string generated from the components.</h:li> <h:li>these are followed by the possible components of the reaction and/or a reactionList of further details.</h:li> </h:ul>.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A chemical reaction or reaction step.</h:div>

<h:div class="description">

<h:p>

<h:tt>reaction</h:tt>

is a container for reactants, products, conditions, properties and possibly other information relating to the reaction, often within a reactionList. Partial semantics exist:

<h:ul>

<h:li>

<h:b>name</h:b>

the name(s) of the reaction

</h:li>

<h:li>

<h:b>reactantList</h:b>

(normally only one) the grouped reactants

</h:li>

<h:li>

<h:b>substance</h:b>

<h:b>substanceList</h:b>

substances present in the reaction but not classified as reactants. Examples might be enzymes, catalysts, solvents, supports, workup, etc.

</h:li>

<h:li>

<h:b>condition</h:b>

conditions of the reaction. These may be text strings, but ideally will have clearer semantics such as scalars for temperature, etc.

</h:li>

<h:li>

<h:b>productList</h:b>

the grouped products. This allows for parallel reactions or other semantics.

</h:li>

<h:li>

<h:b>property</h:b>

properties (often physical) associated with the reaction. Examples might be heat of formation, kinetics or equilibrium constant.

</h:li>

</h:ul>

</h:p>

</h:div>

<h:div>

<h:p>

Reaction normally refers to an overall reaction or a step within a reactionList. For a complex "reaction", such as in enzymes or chain reactions, it may be best to use

<h:tt>reactionScheme</h:tt>

to hold the overall

<h:tt>reaction</h:tt>

and a

<h:tt>reactionList</h:tt>

of the individual

<h:tt>reaction</h:tt>

steps.

</h:p>

</h:div>

<h:div class="example" href="reaction1.xml"/>

<h:div class="example" href="reaction9a.xml"/>

<h:div class="example" href="reaction9b.xml"/>

<h:div class="example" href="reaction10a.xml"/>

<h:div class="example" href="reaction10b.xml"/>

<h:div class="example" href="reaction11.xml"/>

</xsd:documentation>

</xsd:annotation>

<xsd:complexType>

<xsd:annotation>

<xsd:documentation>

<h:div>

<h:p>The semantics of the content model are</h:p>

<h:ul>

<h:li>metadataList for general metadata</h:li>

<h:li>

label for classifying or describing the reaction (e.g. "hydrolysis")

</h:li>

<h:li>

identifier for unique identification. This could be a classification such as EC (enzyme commission) or an IChI-like string generated from the components.

</h:li>

<h:li>

these are followed by the possible components of the reaction and/or a reactionList of further details.

</h:li>

</h:ul>

</h:div>

</xsd:documentation>

</xsd:annotation>

<xsd:sequence>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="metadataList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="label"/>

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

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="name"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="identifier"/>

</xsd:choice>

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

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="reactiveCentre"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="mechanism"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="reactantList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="spectatorList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="substanceList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="conditionList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="transitionState"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="productList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="propertyList"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="map"/>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="object">

<xsd:annotation>

<xsd:documentation>

<h:div>

This allows any objects to be attached to the reaction, but particularly graphical primitives such as lines, arrows, etc. These should be provided as elements where possible (e.g. SVG) and should have references to the chemical objects they interact with (i.e. not simply relying on geometry). Markers with IDs can be included as part of the graphics object and their ids linked to the chemical elements using

<h:tt>link</h:tt>

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

</xsd:sequence>

<xsd:attributeGroup ref="dictRef"/>

<xsd:attributeGroup ref="convention"/>

<xsd:attributeGroup ref="title"/>

<xsd:attributeGroup ref="id"/>

<xsd:attributeGroup ref="reactionFormat"/>

<xsd:attributeGroup ref="ref"/>

<xsd:attributeGroup ref="reactionRole"/>

<xsd:attributeGroup ref="reactionType"/>

<xsd:attributeGroup ref="state"/>

<xsd:attributeGroup ref="atomMap"/>

<xsd:attributeGroup ref="electronMap"/>

<xsd:attributeGroup ref="bondMap"/>

<xsd:attributeGroup ref="yield">

<xsd:annotation>

<xsd:documentation>

<h:div class="specific">

<h:p>

The yield of the reaction. Note that this lies in the range 0-1.

</h:p>

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attributeGroup>

</xsd:complexType>

</xsd:element>

Attribute Detail (all declarations; 13/13)

atomMap

Type:	xsd:QName, predefined
Use:	optional
Defined:	locally within atomMap attributeGroup

<h:div class="summary">A reference to a map providing mappings between atoms</h:div> <h:div class="description">The map will normally be contained within the same document and referenced by its ID. It will contain a list of links with from and to attributes linking atoms. The topology of the linking is defined by the application - it could be overlay of molecular fragments, reactant/product mapping, etc. The reserved phrase "USE_IDS" assume that the sets of atoms are of equal size and have 1:1 mapping between each id. This is another way of saying that the atoms mapped by a given ID are "the same atom". </h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

A reference to a map providing mappings between atoms

</h:div>

<h:div class="description">

The map will normally be contained within the same document and referenced by its ID. It will contain a list of links with from and to attributes linking atoms. The topology of the linking is defined by the application - it could be overlay of molecular fragments, reactant/product mapping, etc. The reserved phrase "USE_IDS" assume that the sets of atoms are of equal size and have 1:1 mapping between each id. This is another way of saying that the atoms mapped by a given ID are "the same atom".

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

bondMap

Type:	xsd:QName, predefined
Use:	optional
Defined:	locally within bondMap attributeGroup

<h:div class="summary">A reference to a map providing mappings between bonds</h:div> <h:div class="description">The map will normally be contained within the same document and referenced by its ID. It will contain a list of links with from and to attributes linking bonds. The topology of the linking is defined by the application - it could be overlay of molecular fragments, reactant/product mapping, etc. The reserved phrase "USE_IDS" assume that the sets of bonds are of equal size and have 1:1 mapping between each id. This is another way of saying that the bonds mapped by a given ID are "the same bond". </h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

A reference to a map providing mappings between bonds

</h:div>

<h:div class="description">

The map will normally be contained within the same document and referenced by its ID. It will contain a list of links with from and to attributes linking bonds. The topology of the linking is defined by the application - it could be overlay of molecular fragments, reactant/product mapping, etc. The reserved phrase "USE_IDS" assume that the sets of bonds are of equal size and have 1:1 mapping between each id. This is another way of saying that the bonds mapped by a given ID are "the same bond".

</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>

electronMap

Type:	xsd:QName, predefined
Use:	optional
Defined:	locally within electronMap attributeGroup

<h:div class="summary">A reference to a map providing mappings between electrons</h:div> <h:div class="description">The map will normally be contained within the same document and referenced by its ID. It will contain a list of links with from and to attributes linking electrons. The topology of the linking is defined by the application - it could be reactant/product mapping, etc. The reserved phrase "USE_IDS" assume that the sets of electrons are of equal size and have 1:1 mapping between each id. This is another way of saying that the electrons mapped by a given ID are "the same electron". </h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

A reference to a map providing mappings between electrons

</h:div>

<h:div class="description">

The map will normally be contained within the same document and referenced by its ID. It will contain a list of links with from and to attributes linking electrons. The topology of the linking is defined by the application - it could be reactant/product mapping, etc. The reserved phrase "USE_IDS" assume that the sets of electrons are of equal size and have 1:1 mapping between each id. This is another way of saying that the electrons mapped by a given ID are "the same electron".

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

format

Type:	reactionFormatType
Use:	optional
Defined:	locally within reactionFormat attributeGroup

<h:div class="summary">Format of the reaction component.</h:div> <h:div class="description">Indicates how the components of reactionScheme, reactionStepList, etc. should be processed. No controlled vocabulary. One example is format="cmlSnap" asserts that the processor can assume that the reactants and products can be rendered using the CMLSnap design. Note that the reaction can be interpreted without reference to the format, which is primarily a processing instruction.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.reactionFormat" name="format" type="reactionFormatType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Format of the reaction component.</h:div>

<h:div class="description">

Indicates how the components of reactionScheme, reactionStepList, etc. should be processed. No controlled vocabulary. One example is format="cmlSnap" asserts that the processor can assume that the reactants and products can be rendered using the CMLSnap design. Note that the reaction can be interpreted without reference to the format, which is primarily a processing instruction.

</h:div>

</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>

role

Type:	reactionRoleType
Use:	optional
Defined:	locally within reactionRole attributeGroup

<h:div class="summary">Role of the reaction.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.reactionRole" name="role" type="reactionRoleType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Role of the reaction.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

state

Type:	stateType
Use:	optional
Defined:	locally within state attributeGroup

<h:div class="summary">The physical state of the substance.</h:div> <h:div class="description">No fixed semantics or default.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">The physical state of the substance.</h:div>

<h:div class="description">No fixed semantics or default.</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>

type

Type:	reactionTypeType
Use:	optional
Defined:	locally within reactionType attributeGroup

<h:div class="summary">Type of the reaction.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Type of the reaction.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

yield

Type:	occupancyType
Use:	optional
Defined:	locally within yield attributeGroup

<h:div class="summary">Yield of a reaction or reactionStep.</h:div> <h:div class="description">Yields can be given on either element. They should lie in the range 0 to 1 inclusive (i.e. percentages will need to be converted). Software may use yield to calculate amounts of substances created during a reaction or series of reactions.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Yield of a reaction or reactionStep.</h:div>

<h:div class="description">

Yields can be given on either element. They should lie in the range 0 to 1 inclusive (i.e. percentages will need to be converted). Software may use yield to calculate amounts of substances created during a reaction or series of reactions.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

Content Element Detail (all declarations; 15/15)

conditionList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="conditionList"/>

identifier

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="identifier"/>

label

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="label"/>

map

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="map"/>

mechanism

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="mechanism"/>

metadataList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="metadataList"/>

name

Type:	anonymous complexType (extension of xsd:string), simple content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="name"/>

object

Type:	anonymous complexType, mixed content
Defined:	by reference within (this) reaction element

<h:div>This allows any objects to be attached to the reaction, but particularly graphical primitives such as lines, arrows, etc. These should be provided as elements where possible (e.g. SVG) and should have references to the chemical objects they interact with (i.e. not simply relying on geometry). Markers with IDs can be included as part of the graphics object and their ids linked to the chemical elements using <h:tt>link</h:tt>.</h:div>

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="object">

<xsd:annotation>

<xsd:documentation>

<h:div>

<h:tt>link</h:tt>

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

productList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="productList"/>

propertyList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="propertyList"/>

reactantList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="reactantList"/>

reactiveCentre

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="reactiveCentre"/>

spectatorList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="spectatorList"/>

substanceList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="substanceList"/>

transitionState

Type:	anonymous complexType, complex content
Defined:	by reference within (this) reaction element

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="transitionState"/>

This XML schema documentation has been generated with DocFlex/XML RE 1.8.5 using DocFlex/XML XSDDoc 2.5.0 template set.

DocFlex/XML RE is a reduced edition of DocFlex/XML, which is a tool for programming and running highly sophisticated documentation and reports generators by the data obtained from any kind of XML files. The actual doc-generators are implemented in the form of special templates that are designed visually using a high-quality Template Designer GUI basing on the XML schema (or DTD) files describing the data source XML.

DocFlex/XML XSDDoc is a commercial template application of DocFlex/XML that implements a high-quality XML Schema documentation generator with simultaneous support of framed multi-file HTML, single-file HTML and RTF output formats. (More formats are planned in the future).

A commercial license for "DocFlex/XML XSDDoc" will allow you:

To configure the generated documentation so much as you want. Thanks to our template technology, it was possible to support > 400 template parameters, which work the same as "options" of ordinary doc-generators. The parameters are organized in nested groups, which form a parameter tree. Most of them have their default values calculated dynamically from a few primary parameters. So, you'll never need to specify all of them. That will give you swift and effective control over the generated content!
To use certain features disabled in the free mode (such as the full documenting of substitution groups).
To select only the initial, imported, included, redefined XML schemas to be documented or only those directly specified by name.
To include only XML schema components specified by name.
To document local element components both globally and locally (similar to attributes).
To allow/suppress unification of local elements by type.
To enable/disable reproducing of namespace prefixes.
To use PlainDoc.tpl main template to generate all the XML schema documentation in a signle-file form as both HTML and incredible quality RTF output.
To format your annotations with XHTML tags and reproduce that formatting both in HTML and RTF output.
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