orderType

<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>

Simple Type Information

Used By

Attribute order/@order

Source

<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>