<h:div class="summary">Bond order.</h:div> <h:div class="description"> <h:p>This is purely conventional and used for bond/electron counting. There is no default value. The emptyString attribute can be used to indicate a bond of unknown or unspecified type. The interpretation of this is outside the scope of CML-based algorithms. It may be accompanied by a <h:tt>convention</h:tt>attribute on the <h:tt>bond</h:tt>which links to a dictionary. Example: <h:tt><bond convention="ccdc:9" atomRefs2="a1 a2"/></h:tt>could represent a delocalised bond in the CCDC convention.</h:p> </h:div> |
Attribute | order/@order |
<xsd:simpleType name="orderType" id="st.orderType"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Bond order.</h:div> <h:div class="description"> <h:p>This is purely conventional and used for bond/electron counting. There is no default value. The emptyString attribute can be used to indicate a bond of unknown or unspecified type. The interpretation of this is outside the scope of CML-based algorithms. It may be accompanied by a <h:tt>convention</h:tt>attribute on the <h:tt>bond</h:tt>which links to a dictionary. Example: <h:tt><bond convention="ccdc:9" atomRefs2="a1 a2"/></h:tt>could represent a delocalised bond in the CCDC convention.</h:p> </h:div> </xsd:documentation> </xsd:annotation> <xsd:restriction base="xsd:string"> <xsd:enumeration value="S"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Single bond.</h:div> <h:div class="description">synonymous with "1.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="1"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Single bond.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="D"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Double bond.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="2"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Double bond.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="T"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Triple bond.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="3"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Triple bond.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="A"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Aromatic bond.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="unknown"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Unknown bond order.</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> <xsd:enumeration value="other"> <xsd:annotation> <xsd:documentation> <h:div class="summary">Other bond order.</h:div> <h:div class="description">Further information can be given using dictRef</h:div> </xsd:documentation> </xsd:annotation> </xsd:enumeration> </xsd:restriction> </xsd:simpleType> |