Documentation for Chemical Markup Language (CML)
Definition Type: Element
Name: substance
Namespace: http://www.xml-cml.org/schema
Containing Schema: schema.xsd
Abstract
Documentation:
A chemical substance. substance represents a chemical substance which is deliberately very general. It can represent things that may or may not be molecules, can and cannot be stored in bottles and may or may not be microscopic. Solutions and mixtures can be described by _substanceList_s of substances. The type attribute can be used to give qualitative information characterising the substance ("granular", "90%", etc.) and _role_ to describe the role in process ("desiccant", "support", etc.). There is currently no controlled vocabulary. Note that reaction is likely to have more precise semantics. The amount of a substance is controlled by the optional _amount_ child. Added property as a child 2002-12-29
Collapse XSD Schema Diagram:
Drilldown into property in schema schema_xsd Drilldown into name in schema schema_xsd Drilldown into molecule in schema schema_xsd Drilldown into amount in schema schema_xsd Drilldown into metadataList in schema schema_xsd Drilldown into state in schema schema_xsd Drilldown into state in schema schema_xsd Drilldown into count in schema schema_xsd Drilldown into count in schema schema_xsd Drilldown into ref in schema schema_xsd Drilldown into ref in schema schema_xsd Drilldown into role in schema schema_xsd Drilldown into role in schema schema_xsd Drilldown into type in schema schema_xsd Drilldown into type in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into dictRef in schema schema_xsdXSD Diagram of substance in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code: 
<xsd:element name="substance" id="el.substance">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">A chemical substance.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">
                <h:tt>substance</h:tt> represents a <h:i>chemical substance</h:i> which is deliberately very general. It can represent things that may or may not be molecules, can and cannot be stored in bottles and may or may not be microscopic. Solutions and mixtures  can be described by _substanceList_s of substances. The <h:tt>type</h:tt> attribute can be used to give qualitative information characterising the substance ("granular", "90%", etc.) and _role_ to describe the role in process ("desiccant", "support", etc.). There is currently no controlled vocabulary. Note that <h:tt>reaction</h:tt> is likely to have more precise semantics. The amount of a substance is controlled by the optional _amount_ child.</h:div>
            <h:div class="example" href="substance1.xml" xmlns:h="http://www.w3.org/1999/xhtml" />
        </xsd:documentation>
        <xsd:documentation>
            <h:div class="curation" xmlns:h="http://www.w3.org/1999/xhtml">
                <h:p>Added property as a child 2002-12-29</h:p>
            </h:div>
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:sequence>
            <xsd:element ref="metadataList" minOccurs="0" maxOccurs="unbounded" />
            <xsd:element ref="amount" minOccurs="0" />
            <xsd:choice>
                <xsd:element ref="molecule" minOccurs="0" maxOccurs="unbounded" />
                <xsd:element ref="name" minOccurs="0" maxOccurs="unbounded" />
                <xsd:element ref="property" minOccurs="0" maxOccurs="unbounded" />
            </xsd:choice>
        </xsd:sequence>
        <xsd:attributeGroup ref="dictRef" />
        <xsd:attributeGroup ref="convention" />
        <xsd:attributeGroup ref="title" />
        <xsd:attributeGroup ref="id" />
        <xsd:attributeGroup ref="type" />
        <xsd:attributeGroup ref="role">
            <xsd:annotation>
                <xsd:documentation>
                    <h:div class="specific" xmlns:h="http://www.w3.org/1999/xhtml">
                        <h:tt>role</h:tt> depends on context, and indicates some purpose associated with the substance. It might indicate 'catalyst', 'solvent', 'antoxidant', etc. but is not limited to any vocabulary.</h:div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attributeGroup>
        <xsd:attributeGroup ref="ref" />
        <xsd:attributeGroup ref="count" />
        <xsd:attributeGroup ref="state" />
    </xsd:complexType>
</xsd:element>
Collapse Child Elements:
Name Type Min Occurs Max Occurs
metadataList nsA:metadataList 0 unbounded
amount nsA:amount 0 (1)
molecule nsA:molecule 0 unbounded
name nsA:name 0 unbounded
property nsA:property 0 unbounded
Collapse Child Attributes:
Name Type Default Value Use
dictRef nsA:dictRef (Optional)
convention nsA:convention (Optional)
title nsA:title (Optional)
id nsA:id (Optional)
type nsA:type (Optional)
role nsA:role (Optional)
ref nsA:ref (Optional)
count nsA:count (Optional)
state nsA:state (Optional)
Documentation for Chemical Markup Language (CML)

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