CML element substance

Abstract	false (This can be used in an instance)
Nillable	false (Instance values cannot use xsi:nil)
Target Namespace	http://www.xml-cml.org/schema/cml2/core
Declared Namespaces	xmlns:val=http://www.w3.org/1999/XSL/TransformX xmlns:stm=http://www.xml-cml.org/schema/stmml xmlns:xsd=http://www.w3.org/2001/XMLSchema xmlns:xlink=http://www.w3.org/1999/xlink xmlns:cml=http://www.xml-cml.org/schema/cml2/core xmlns=http://www.xml-cml.org/schema/cml2/core

<xsd:element name="substance" id="el.substance">
    <xsd:annotation>
        <xsd:documentation>
            <div class="summary">A chemical substance.</div>
            <div class="description">
                <p>
                    <tt>substance</tt>
represents a
                    <i>chemical substance</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
                    <a href="el.substanceList">substanceList</a>
s of substances. The
                    <tt>type</tt>
attribute can be used to give qualitative information characterising the substance ("granular", "90%", etc.)
and
                    <tt>role</tt>
to describe the role in process ("desiccant", "support", etc.). There is currently no controlled vocabulary.
Note that
                    <tt>reaction</tt>
is likely to have more precise semantics.
</p>
                <p>The amount of a substance is controlled by the optional
                    <tt>amount</tt>
child
</p>
            </div>
            <div class="example">
                <pre>
<cml title="substance example">
<substance title="ethanol" id="ethanol">
<amount units="units:l">1.2</amount>
</substance>
</cml>
                </pre>
            </div>
        </xsd:documentation>
        <xsd:documentation>
            <div class="curation">
                <p>Added property as a child 2002-12-29</p>
            </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:attribute name="type" type="xsd:string">
            <xsd:annotation>
                <xsd:documentation>
                    <p>
                        <tt>type</tt>
can represent concepts such as physical form, but is not limited
to any vocabulary.
                    </p>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="role" type="xsd:string">
            <xsd:annotation>
                <xsd:documentation>
                    <p>
                        <tt>role</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.
                    </p>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
        <xsd:attributeGroup ref="ref"/>
        <xsd:attribute name="count" type="positiveNumberType">
            <xsd:annotation>
                <xsd:documentation>
                    <div class="summary">The count of the substance.</div>
                    <div class="description">No fixed semantics or default.</div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="state" type="stateType" id="substance.att.state">
            <xsd:annotation>
                <xsd:documentation>
                    <div>
                        <p>The state of the substance</p>
                    </div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
    </xsd:complexType>
</xsd:element>

element {http://www.xml-cml.org/schema/cml2/core}substance

Source

Documentation