simpleType "orderType"

Namespace:	http://www.xml-cml.org/schema/cml2/react
Defined:	globally in cmlreact.xsd; see XML source
Used:	at 2 locations

Simple Content Model

("hbond" | "partial01" | "S" | "1" | "partial12" | "D" | "2" | "partial23" | "T" | "3" | "A") | xsd:string

Known Direct Subtypes (1):

orderArrayType

All Direct / Indirect Based Attributes (2):

order/@order, orderArray/@order

Known Usage Locations

In derivations of other global types (1):
orderArrayType (as list item type)
As direct type of attributes within attributeGroups (1):
order/@order

Annotation

<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>

Type Definition Detail

Type Derivation Tree

union of (restriction of xsd:string | restriction of namespaceRefType)

orderType

Derivation:

by union

Member Types

anonymous simpleType:

Derivation:

restriction of xsd:string
anonymous simpleType:

Derivation:

restriction of namespaceRefType

XML Source (see within schema source)

<xsd:simpleType id="st.orderType" name="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:union>

<xsd:simpleType>

<xsd:restriction base="xsd:string">

<xsd:enumeration value="hbond">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Hydrogen bond.</h:div>

<h:div class="description">

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">Partial bond.</h:div>

<h:div class="description">

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">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="partial12">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Intermediate between 1 and .</h:div>

<h:div class="description">

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">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="partial23">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Intermediate between 2 and .</h:div>

<h:div class="description">

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">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:restriction>

</xsd:simpleType>

<xsd:simpleType>

<xsd:restriction base="namespaceRefType"/>

</xsd:simpleType>

</xsd:union>

</xsd:simpleType>

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