<xsd:simpleType name="orderType" id="st.orderType">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Bond order.</h:div>
<h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">
<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:union>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="hbond">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Hydrogen bond.</h:div>
<h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">Carries no semantics but will normally be between a hydrogen atom and an element with lone pairs.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="partial01">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Partial bond.</h:div>
<h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">Can be used for a partial bond in a transition state, intermolecular interaction, etc. There is no numeric value associated and the bond order could be anywhere between 0 and single.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="S">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Single bond.</h:div>
<h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">synonymous with "1.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="1">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Single bond.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="partial12">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Intermediate between 1 and .</h:div>
<h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">Could be used for a transition state or a delocalised system.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="D">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Double bond.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="2">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Double bond.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="partial23">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Intermediate between 2 and .</h:div>
<h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">Could be used for a transition state or a delocalised system.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="T">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Triple bond.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="3">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Triple bond.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
<xsd:enumeration value="A">
<xsd:annotation>
<xsd:documentation>
<h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Aromatic bond.</h:div>
</xsd:documentation>
</xsd:annotation>
</xsd:enumeration>
</xsd:restriction>
</xsd:simpleType>
<xsd:simpleType>
<xsd:restriction base="namespaceRefType" />
</xsd:simpleType>
</xsd:union>
</xsd:simpleType>
|
XSD Schema Diagram:
