bondArray

<h:div class="summary">A container for a number of bonds.</h:div>
<h:div class="description">_bondArray_ is a child of _molecule_ and contains _bond_ information. There are two strategies:
  <h:ul>
    <h:li>Create individual
      <h:tt>bond</h:tt>elements under
      <h:tt>bondArray</h:tt>(in any order). This gives the greatest flexibility but is the most verbose.</h:li>
    <h:li>Create
      <h:tt>*Array</h:tt>attributes (e.g. of
      <h:tt>orderArrayType</h:tt>under
      <h:tt>bondArray</h: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 _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_</h:li>
  </h:ul>
  <h:p>The attributes are directly related to the scalar attributes under _atom_ which should be consulted for more info.</h:p>
</h:div>
<h:div class="example" href="bondArray1.xml">
  <h:p>Example - these are exactly equivalent representations</h:p>
</h:div>

Element Information

Model

anyCml | ANY element from ANY namespace OTHER than 'http://www.xml-cml.org/schema' | ANY element from LOCAL namespace 'No Namespace'
Children: anyCml

Attributes

QName Type Fixed Default Use Inheritable Annotation
atomRef1 atomRefArrayType optional
<h:div class="summary">The first atoms in each bond.</h:div>
<h:div class="description">Currently only used in bondArray in CML2 array mode.</h:div>
atomRef2 atomRefArrayType optional
<h:div class="summary">The second atoms in each bond.</h:div>
<h:div class="general">Only used in bondArray in CML2 array mode.</h:div>
bondID bondRefArrayType optional
<h:div class="summary">The IDs for an array of bond.</h:div>
<h:div class="general">Required in CML2 array mode.</h:div>
convention namespaceRefType optional
<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" id="ex" href="convGroup1.xml"/>
dictRef namespaceRefType optional
<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 doc containing _entry_ elements and validated against STMML Schema.
  <h:p>Where there is concern about the dictionary becoming separated from the doc 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"/>
id idType optional
<h:div class="summary">A unique ID for an element.</h:div>
<h:div class="description">Id is used for machine identification of elements and in general should not have application semantics. It is similar to the XML ID type as containing only alphanumerics, '_', ',' and '-' and and must start with an alphabetic character. Ids are case sensitive. Ids should be unique within local scope, thus all atoms within a molecule should have unique ids, but separated molecules within a doc (such as a published article) might have identical ids. Software should be able to search local scope (e.g. all atoms within a molecule). However this is under constant review.</h:div>
order orderArrayType optional
<h:div class="summary">The order of the bond.</h:div>
<h:div class="description">There is NO default. This order is for bookkeeping only and is not related to length, QM calculations or other experimental or theoretical calculations.</h:div>
title xsd:string optional
<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"/>
Wildcard: ANY attribute from ANY namespace OTHER than 'http://www.xml-cml.org/schema'

Source

<xsd:element name="bondArray" id="el.bondArray" substitutionGroup="anyCml">
  <xsd:annotation>
    <xsd:documentation>
      <h:div class="summary">A container for a number of bonds.</h:div>
      <h:div class="description">_bondArray_ is a child of _molecule_ and contains _bond_ information. There are two strategies:
        <h:ul>
          <h:li>Create individual
            <h:tt>bond</h:tt>elements under
            <h:tt>bondArray</h:tt>(in any order). This gives the greatest flexibility but is the most verbose.</h:li>
          <h:li>Create
            <h:tt>*Array</h:tt>attributes (e.g. of
            <h:tt>orderArrayType</h:tt>under
            <h:tt>bondArray</h: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 _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_</h:li>
        </h:ul>
        <h:p>The attributes are directly related to the scalar attributes under _atom_ which should be consulted for more info.</h:p>
      </h:div>
      <h:div class="example" href="bondArray1.xml">
        <h:p>Example - these are exactly equivalent representations</h:p>
      </h:div>
    </xsd:documentation>
  </xsd:annotation>
  <xsd:complexType>
    <xsd:choice minOccurs="0" maxOccurs="unbounded">
      <xsd:element ref="anyCml"/>
      <xsd:any namespace="##other" processContents="lax"/>
      <xsd:any namespace="##local" processContents="lax"/>
    </xsd:choice>
    <xsd:attributeGroup ref="title"/>
    <xsd:attributeGroup ref="id"/>
    <xsd:attributeGroup ref="convention"/>
    <xsd:attributeGroup ref="dictRef"/>
    <xsd:attributeGroup ref="bondIDArray"/>
    <xsd:attributeGroup ref="atomRef1Array"/>
    <xsd:attributeGroup ref="atomRef2Array"/>
    <xsd:attributeGroup ref="orderArray"/>
    <xsd:anyAttribute namespace="##other" processContents="lax"/>
  </xsd:complexType>
</xsd:element>

Sample