CML element substanceList

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="substanceList" id="el.substanceList">
    <xsd:annotation>
        <xsd:documentation>
            <div class="curation">2003-03-12: Added role attribute</div>
            <div class="summary">A list of "chemical substances".</div>
            <div class="description">
                <p>
Deliberately very
general - see
                    <a href="el.substance">substance</a>
.
                    <tt>substanceList</tt>
is designed to
manage solutions, mixtures, etc. and there is a small enumerated controlled vocabulary,
but this can be extended through dictionaries.
                </p>
                <p>
                    <tt>substanceList</tt>
can have an
                    <a href="el.amount">amount</a>
child. This can indicate
the amount of a solution or mixture; this example describes 100 ml of 0.1M NaOH(aq).
Although apparently longwinded it is precise and fully machine-interpretable
                </p>
            </div>
            <div class="example">
                <pre>
<cml title="substanceList example">
<substanceList id="s1">
<amount units="units:ml">100</amount>
<substance id="s1">
<amount units="units:l">1</amount>
<molecule id="h2o" ref="mols:water"/>
</substance>
<substance id="s2">
<amount units="units:mole">0.1</amount>
<molecule id="nacl" formula="Na 1 O 1 H 1"/>
</substance>
</substanceList>
</cml>
                </pre>
            </div>
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:sequence>
            <xsd:element ref="metadataList" minOccurs="0" maxOccurs="unbounded"/>
            <xsd:element ref="amount" minOccurs="0"/>

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

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

        </xsd:sequence>
        <xsd:attributeGroup ref="dictRef"/>
        <xsd:attributeGroup ref="convention"/>
        <xsd:attributeGroup ref="title"/>
        <xsd:attributeGroup ref="id"/>
        <xsd:attribute name="type">
            <xsd:annotation>
                <xsd:documentation>
                    <div class="summary">Type of the substanceList:</div>
                    <div class="description">Extension is allowed through the "other" value.</div>
                </xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
                <xsd:restriction base="xsd:string">
                    <xsd:enumeration value="solution"/>
                    <xsd:enumeration value="mixture"/>
                    <xsd:enumeration value="other"/>
                </xsd:restriction>
            </xsd:simpleType>
        </xsd:attribute>
        <xsd:attribute name="role">
            <xsd:annotation>
                <xsd:documentation>
                    <div class="summary">Role of the substanceList</div>
                    <div class="description">Uncontrolled vocabulary. Might describe</div>
                </xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
                <xsd:restriction base="xsd:string">
                    <xsd:enumeration value="solution"/>
                    <xsd:enumeration value="mixture"/>
                    <xsd:enumeration value="other"/>
                </xsd:restriction>
            </xsd:simpleType>
        </xsd:attribute>
        <xsd:attributeGroup ref="ref"/>
    </xsd:complexType>
</xsd:element>

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

Source

Documentation