Definition Type: Element
Name: particle
Namespace: http://www.xml-cml.org/schema
Containing Schema: schema.xsd
Abstract
Documentation:
An object in space carrying a set of properties. particles have many of the characteristics of atoms but without an atomic nucleus. It does not have an elementType and cannot be involved in bonding, etc. It has coordinates, may carry charge and might have a mass. It represents some aspect of a computational model and should not be used for purely geometrical concepts such as centroid. Examples of particles are "shells" (e.g. in GULP) which are linked to atoms for modelling polarizability or lonepairs and approximations to multipoles. Properties such as charge, mass should be scalar/array/matrix children. <h:div class="example" href="particle1.xml"></h:div>
Collapse XSD Schema Diagram:
Drilldown into z3 in schema schema_xsd Drilldown into z3 in schema schema_xsd Drilldown into y3 in schema schema_xsd Drilldown into y3 in schema schema_xsd Drilldown into x3 in schema schema_xsd Drilldown into x3 in schema schema_xsd Drilldown into type in schema schema_xsd Drilldown into type 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 particle in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code:
<xsd:element name="particle" id="el.particle">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">An object in space carrying a set of properties.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">
                <h:tt>particles</h:tt> have many of the characteristics of <h:tt>atom</h:tt>s 
                    but without an atomic nucleus. It does not have an elementType and cannot be 
                    involved in bonding, etc. It has coordinates, may carry charge and might have a 
                    mass. It represents some aspect of a computational model and should not be used 
                    for purely geometrical concepts such as centroid. Examples of particles are 
                    "shells" (e.g. in GULP)  which are linked to atoms for modelling polarizability 
                    or lonepairs and approximations to multipoles. Properties such as charge, mass 
                    should be scalar/array/matrix children.</h:div>
            <!--
        <h:div class="example" href="particle1.xml"></h:div>
        -->
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:sequence>
            <xsd:any minOccurs="0" maxOccurs="unbounded" processContents="lax" />
        </xsd:sequence>
        <xsd:attributeGroup ref="title" />
        <xsd:attributeGroup ref="id" />
        <xsd:attributeGroup ref="convention" />
        <xsd:attributeGroup ref="dictRef" />
        <xsd:attributeGroup ref="type">
            <xsd:annotation>
                <xsd:documentation>
                    <h:div class="specific" xmlns:h="http://www.w3.org/1999/xhtml">Used in a similar manner to <h:tt>atomType</h:tt>. Examples 
                    might be "lonePair", "polarizable Oxygen", etc.</h:div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attributeGroup>
        <xsd:attributeGroup ref="x3" />
        <xsd:attributeGroup ref="y3" />
        <xsd:attributeGroup ref="z3" />
    </xsd:complexType>
</xsd:element>
Collapse Child Elements:
Name Type Min Occurs Max Occurs
<xs:any> 0 unbounded
Collapse Child Attributes:
Name Type Default Value Use
title nsA:title (Optional)
id nsA:id (Optional)
convention nsA:convention (Optional)
dictRef nsA:dictRef (Optional)
type nsA:type (Optional)
x3 nsA:x3 (Optional)
y3 nsA:y3 (Optional)
z3 nsA:z3 (Optional)