CML element bondArray

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="bondArray" id="el.bondArray">
    <xsd:annotation>
        <xsd:documentation>
            <div class="summary">A container for a number of
                <a href="el.bond">bond</a>
            </div>
            <div class="description">
                <p>
                    <tt>bondArray</tt>
is a child of
                    <tt>molecule</tt>
and contains
                    <tt>bond</tt>
information. There are two strategies:
</p>
                <ul>
                    <li>Create individual
                        <tt>bond</tt>
elements under
                        <tt>bondArray</tt>
(in any order). This gives the greatest flexibility but is the most verbose.
</li>
                    <li>Create
                        <tt>*Array</tt>
attributes (e.g. of
                        <tt>orderArrayType</tt>
under
                        <tt>bondArray</tt>
. This requires all arrays to be of identical lengths
with explicit values for all bonds in every array.
This is NOT suitable for complexType
bond children such as
                        <a href="el.bondStereo">
                            <tt>bondStereo</tt>
                        </a>
,
nor can IDs be added to bonds..
It also cannot be checked as easily by schema- and schematron validation. The
                        <tt>atomRef1Array</tt>
and
                        <tt>atomRef2Array</tt>
attributes are then
mandatory. It is allowed (though not yet recommended) to
add
                        <tt>*Array</tt>
children such as
                        <tt>floatArray</tt>
                    </li>
                </ul>
                <p>The attributes are directly related to the scalar attributes under
                    <a href="el.atom">
                        <tt>atom</tt>
                    </a>
which should be consulted for more info.
</p>
            </div>
            <div class="example">
                <p>Example - these are exactly equivalent representations</p>
                <pre>
<cml title="bondArray example 1">
<list>
<bondArray>
<bond id="b1" atomRefs2="a1 a2"
order="1"/>
<bond id="b2" atomRefs2="a1 a3" order="2"/>
<bond id="b3" atomRefs2="a3 a5" order="1"/>
</bondArray>
<bondArray
atomRef1="a1 a1 a3"
atomRef2="a2 a3 a5"
order="1 2 1"/>
</list>
</cml>
                </pre>
            </div>
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:choice>
            <xsd:element ref="bond" maxOccurs="unbounded"/>
            <xsd:element ref="array" minOccurs="0" maxOccurs="unbounded"/>

            <xsd:choice minOccurs="0" maxOccurs="unbounded">
                <xsd:element ref="floatArray" minOccurs="0" maxOccurs="unbounded"/>
                <xsd:element ref="integerArray" minOccurs="0" maxOccurs="unbounded"/>
                <xsd:element ref="stringArray" minOccurs="0" maxOccurs="unbounded"/>
            </xsd:choice>
        </xsd:choice>
        <xsd:attributeGroup ref="tit_id_conv_dictGroup"/>
        <xsd:attribute name="bondID" type="bondRefArrayType">
            <xsd:annotation>
                <xsd:documentation>
                    <p>The IDs for the bonds. Required in array mode</p>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="atomRef1" type="atomRefArrayType">
            <xsd:annotation>
                <xsd:documentation>
                    <p>The first atoms in each bond. Required in array mode</p>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="atomRef2" type="atomRefArrayType">
            <xsd:annotation>
                <xsd:documentation>
                    <p>The second atoms in each bond. Required in array mode</p>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="order" type="orderArrayType">
            <xsd:annotation>
                <xsd:documentation>
                    <p>The bond orders in each bond. Used in array mode</p>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attribute>
    </xsd:complexType>
</xsd:element>

bondArray is a child of molecule and contains bond information. There are two strategies:

Create individual bond elements under bondArray (in any order). This gives the greatest flexibility but is the most verbose.
Create *Array attributes (e.g. of orderArrayType under bondArray. This requires all arrays to be of identical lengths with explicit values for all bonds in every array. This is NOT suitable for complexType bond children such as bondStereo , nor can IDs be added to bonds.. It also cannot be checked as easily by schema- and schematron validation. The atomRef1Array and atomRef2Array attributes are then mandatory. It is allowed (though not yet recommended) to add *Array children such as floatArray

The attributes are directly related to the scalar attributes under atom which should be consulted for more info.

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

Source

Documentation