simpleType elementTypeType

simpleType {http://www.xml-cml.org/schema/cml2/core}elementTypeType

Target Namespacehttp://www.xml-cml.org/schema/cml2/core
Declared Namespacesxmlns:val=http://www.w3.org/1999/XSL/TransformX
xmlns:stm=http://www.xml-cml.org/schema/stmml
xmlns:xsd=http://www.w3.org/2001/XMLSchema
xmlns:xlink=http://www.w3.org/1999/xlink
xmlns:cml=http://www.xml-cml.org/schema/cml2/core
xmlns=http://www.xml-cml.org/schema/cml2/core


Source

<xsd:simpleType name="elementTypeType" id="st.elementTypeType">
    <
xsd:annotation>
        <
xsd:documentation>
            <
div class="summary">Allowed
                
<tt>elementType</tt>
values.
</div>
            <
div class="description">
                <
p>
The periodic table (up to
element number 118. In addition the following strings are allowed:
                    
<ul>
                        <
li>
                            <
tt>Du</tt>
. ("dummy") This does not correspond to a "real" atom and can
support a point in space or within a chemical graph.
                        
</li>
                        <
li>
                            <
tt>R</tt>
. ("R-group") This indicates that an atom or group of atoms could be attached at this point.
</li>
                    </
ul>
                </
p>
            </
div>
            <
div class="example">
                <
pre>
<cml title="elementType example">
<atomArray>
<atom id="a1" elementType="C"/>
<atom id="a2" elementType="N"/>
<atom id="a3" elementType="Pb"/>
<atom id="a4" elementType="Dummy"/>
</atomArray>
</cml>
                
</pre>
            </
div>
        </
xsd:documentation>
    </
xsd:annotation>
    <
xsd:union>
        <
xsd:simpleType>
            <
xsd:restriction base="xsd:string">
                <
xsd:enumeration value="Ac"/>
                <
xsd:enumeration value="Al"/>
                <
xsd:enumeration value="Ag"/>
                <
xsd:enumeration value="Am"/>
                <
xsd:enumeration value="Ar"/>
                <
xsd:enumeration value="As"/>
                <
xsd:enumeration value="At"/>
                <
xsd:enumeration value="Au"/>
                <
xsd:enumeration value="B"/>
                <
xsd:enumeration value="Ba"/>
                <
xsd:enumeration value="Bh"/>
                <
xsd:enumeration value="Bi"/>
                <
xsd:enumeration value="Be"/>
                <
xsd:enumeration value="Bk"/>
                <
xsd:enumeration value="Br"/>
                <
xsd:enumeration value="C"/>
                <
xsd:enumeration value="Ca"/>
                <
xsd:enumeration value="Cd"/>
                <
xsd:enumeration value="Ce"/>
                <
xsd:enumeration value="Cf"/>
                <
xsd:enumeration value="Cl"/>
                <
xsd:enumeration value="Cm"/>
                <
xsd:enumeration value="Co"/>
                <
xsd:enumeration value="Cr"/>
                <
xsd:enumeration value="Cs"/>
                <
xsd:enumeration value="Cu"/>
                <
xsd:enumeration value="Db"/>
                <
xsd:enumeration value="Dy"/>
                <
xsd:enumeration value="Er"/>
                <
xsd:enumeration value="Es"/>
                <
xsd:enumeration value="Eu"/>
                <
xsd:enumeration value="F"/>
                <
xsd:enumeration value="Fe"/>
                <
xsd:enumeration value="Fm"/>
                <
xsd:enumeration value="Fr"/>
                <
xsd:enumeration value="Ga"/>
                <
xsd:enumeration value="Gd"/>
                <
xsd:enumeration value="Ge"/>
                <
xsd:enumeration value="H">
                    <
xsd:annotation>
                        <
xsd:documentation>
                            <
div class="summary">Any isotope of hydrogen.</div>
                            <
div class="description">
                                <
p>There are no special element symbols for D and T which should use the
                                    
<tt>isotope</tt>
attribute.
</p>
                            </
div>
                        </
xsd:documentation>
                    </
xsd:annotation>
                </
xsd:enumeration>
                <
xsd:enumeration value="He"/>
                <
xsd:enumeration value="Hf"/>
                <
xsd:enumeration value="Hg"/>
                <
xsd:enumeration value="Ho"/>
                <
xsd:enumeration value="Hs"/>
                <
xsd:enumeration value="I"/>
                <
xsd:enumeration value="In"/>
                <
xsd:enumeration value="Ir"/>
                <
xsd:enumeration value="K"/>
                <
xsd:enumeration value="Kr"/>
                <
xsd:enumeration value="La"/>
                <
xsd:enumeration value="Li"/>
                <
xsd:enumeration value="Lr"/>
                <
xsd:enumeration value="Lu"/>
                <
xsd:enumeration value="Md"/>
                <
xsd:enumeration value="Mg"/>
                <
xsd:enumeration value="Mn"/>
                <
xsd:enumeration value="Mo"/>
                <
xsd:enumeration value="Mt"/>
                <
xsd:enumeration value="N"/>
                <
xsd:enumeration value="Na"/>
                <
xsd:enumeration value="Nb"/>
                <
xsd:enumeration value="Nd"/>
                <
xsd:enumeration value="Ne"/>
                <
xsd:enumeration value="Ni"/>
                <
xsd:enumeration value="No"/>
                <
xsd:enumeration value="Np"/>
                <
xsd:enumeration value="O"/>
                <
xsd:enumeration value="Os"/>
                <
xsd:enumeration value="P"/>
                <
xsd:enumeration value="Pa"/>
                <
xsd:enumeration value="Pb"/>
                <
xsd:enumeration value="Pd"/>
                <
xsd:enumeration value="Pm"/>
                <
xsd:enumeration value="Po"/>
                <
xsd:enumeration value="Pr"/>
                <
xsd:enumeration value="Pt"/>
                <
xsd:enumeration value="Pu"/>
                <
xsd:enumeration value="Ra"/>
                <
xsd:enumeration value="Rb"/>
                <
xsd:enumeration value="Re"/>
                <
xsd:enumeration value="Rf"/>
                <
xsd:enumeration value="Rh"/>
                <
xsd:enumeration value="Rn"/>
                <
xsd:enumeration value="Ru"/>
                <
xsd:enumeration value="S"/>
                <
xsd:enumeration value="Sb"/>
                <
xsd:enumeration value="Sc"/>
                <
xsd:enumeration value="Se"/>
                <
xsd:enumeration value="Sg"/>
                <
xsd:enumeration value="Si"/>
                <
xsd:enumeration value="Sm"/>
                <
xsd:enumeration value="Sn"/>
                <
xsd:enumeration value="Sr"/>
                <
xsd:enumeration value="Ta"/>
                <
xsd:enumeration value="Tb"/>
                <
xsd:enumeration value="Tc"/>
                <
xsd:enumeration value="Te"/>
                <
xsd:enumeration value="Th"/>
                <
xsd:enumeration value="Ti"/>
                <
xsd:enumeration value="Tl"/>
                <
xsd:enumeration value="Tm"/>
                <
xsd:enumeration value="U"/>
                <
xsd:enumeration value="Uun"/>
                <
xsd:enumeration value="Uuu"/>
                <
xsd:enumeration value="Uub"/>
                <
xsd:enumeration value="Uut"/>
                <
xsd:enumeration value="Uuq"/>
                <
xsd:enumeration value="Uup"/>
                <
xsd:enumeration value="Uuh"/>
                <
xsd:enumeration value="Uus"/>
                <
xsd:enumeration value="Uuo"/>
                <
xsd:enumeration value="V"/>
                <
xsd:enumeration value="W"/>
                <
xsd:enumeration value="Xe"/>
                <
xsd:enumeration value="Y"/>
                <
xsd:enumeration value="Yb"/>
                <
xsd:enumeration value="Zn"/>
                <
xsd:enumeration value="Zr"/>
                <
xsd:enumeration value="Dummy"/>
                <
xsd:enumeration value="Du">
                    <
xsd:annotation>
                        <
xsd:documentation>
                            <
div class="summary">A point or object with no chemical semantics.</div>
                            <
div class="description">
                                <
p>Examples can be centroids, bond-midpoints, orienting "atoms" in small z-matrices.</p>
                                <
p>Note "Dummy" has the same semantics but is now deprecated.</p>
                            </
div>
                        </
xsd:documentation>
                    </
xsd:annotation>
                </
xsd:enumeration>
                <
xsd:enumeration value="R">
                    <
xsd:annotation>
                        <
xsd:documentation>
                            <
div class="summary">A point at which an atom or group might be attached.</div>
                            <
div class="description">
                                <
p>Examples are abbreviated organic functional groups, Markush representations, polymers, unknown atoms, etc. Semantics may be determined by the
                                    
<tt>role</tt>
attribute on the atom.
</p>
                            </
div>
                        </
xsd:documentation>
                    </
xsd:annotation>
                </
xsd:enumeration>
            </
xsd:restriction>
        </
xsd:simpleType>
        <
xsd:simpleType>
            <
xsd:restriction base="xsd:string">
                <
xsd:pattern value="[A-Za-z]+:[A-Za-z][A-Za-z0-9\-]+"/>
            </
xsd:restriction>
        </
xsd:simpleType>
    </
xsd:union>
</
xsd:simpleType>


Documentation

Allowed elementType values.

The periodic table (up to element number 118. In addition the following strings are allowed:

<cml title="elementType example">
  <atomArray>
    <atom id="a1" elementType="C"/>
    <atom id="a2" elementType="N"/>
    <atom id="a3" elementType="Pb"/>
    <atom id="a4" elementType="Dummy"/>
  </atomArray>
</cml>


simpleType elementTypeType


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