Definition Type: Element
Name: atomParity
Namespace: http://www.xml-cml.org/schema
Type: double:http://www.w3.org/2001/XMLSchema
Containing Schema: schema.xsd
Abstract
Documentation:
The stereochemistry round an atom centre. It follows the convention of the MIF format, and uses 4 distinct atoms to define the chirality. These can be any atoms (though they are normally bonded to the current atom). There is no default order and the order is defined by the atoms in the atomRefs4 attribute. If there are only 3 ligands, the current atom should be included in the 4 atomRefs. The value of the parity is a signed number. (It can only be zero if two or more atoms are coincident or the configuration is planar). The sign is the sign of the chiral volume created by the four atoms (a1, a2, a3, a4): | 1 1 1 1 | | x1 x2 x3 x4 | | y1 y2 y3 y4 | | z1 z2 z3 z4 | Note that atomParity cannot be used with the *Array syntax for atoms.
Collapse XSD Schema Diagram:
Drilldown into atomRefs4 in schema schema_xsd Drilldown into atomRefs4 in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into title in schema schema_xsdXSD Diagram of atomParity in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code:
<xsd:element name="atomParity" id="el.atomParity">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">The stereochemistry round an atom centre.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">It follows the convention of the MIF format, 
            and uses 4 distinct atoms to define the chirality. These can be any 
            atoms (though they are normally bonded to the current atom). There is 
            no default order and the order is defined by the atoms in the atomRefs4 
            attribute. If there are only 3 ligands, the current atom should be 
            included in the 4 atomRefs.
                <h:p>The value of the parity is a signed number. (It can only be 
                zero if two or more atoms are coincident or the configuration is 
                planar). The sign is the sign of the chiral volume created by the 
                four atoms (a1, a2, a3, a4):</h:p>
                <h:pre>
       |  1  1  1  1 |
       | x1 x2 x3 x4 |
       | y1 y2 y3 y4 |
       | z1 z2 z3 z4 |
        </h:pre>
                <h:p>Note that <h:tt>atomParity</h:tt> cannot be used with the
                 *Array syntax for atoms.</h:p>
            </h:div>
            <h:div class="example" href="atomParity1.xml" xmlns:h="http://www.w3.org/1999/xhtml" />
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:simpleContent>
            <xsd:extension base="xsd:double">
                <xsd:attributeGroup ref="title" />
                <xsd:attributeGroup ref="id" />
                <xsd:attributeGroup ref="convention" />
                <xsd:attributeGroup ref="dictRef" />
                <xsd:attributeGroup ref="atomRefs4" />
            </xsd:extension>
        </xsd:simpleContent>
    </xsd:complexType>
</xsd:element>
Collapse Child Attributes:
Name Type Default Value Use
title nsA:title (Optional)
id nsA:id (Optional)
convention nsA:convention (Optional)
dictRef nsA:dictRef (Optional)
atomRefs4 nsA:atomRefs4 (Optional)