CML simpleType formulaType

Type Heirarchy
{http://www.w3.org/2001/XMLSchema}string (by restriction) {http://www.xml-cml.org/schema/cml2/core}formulaType

Target Namespace	http://www.xml-cml.org/schema/cml2/core
Declared Namespaces	xmlns: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

<xsd:simpleType name="formulaType" id="st.formulaType">
    <xsd:annotation>
        <xsd:documentation>
            <div class="summary">A concise representation for a molecular formula.</div>
            <div class="description">
                <p>
This MUST adhere to a whitespaced syntax so that it is trivially machine-parsable.
Each element is followed by its count, and the string is optionally ended
by a formal charge. NO brackets or other nesting is allowed.
                </p>
            </div>
            <div class="example">
                <pre>
<cml title="formulaType example (concise)">
<list>
<formula id="methane" concise="C 1 H 4"/>
<formula id="chloroacetate" concise="Cl 1 H 2 C 2 O 2 -1"/>
<formula id="sodiumSulfate">
<formula concise="H 2 O 1" count="10"/>
<formula concise="Na 1 +1" count="2"/>
<formula concise="S 1 O 4 -2"/>
</formula>
</list>
</cml>
                </pre>
            </div>
        </xsd:documentation>
        <xsd:appinfo/>
    </xsd:annotation>
    <xsd:restriction base="xsd:string">
        <xsd:pattern
            value="\s*([A-Z][a-z]?\s+[1-9][0-9]*)(\s+[A-Z][a-z]?\s+[1-9][0-9]*)*(\s+[-|+]?[0-9]+)?\s*"/>
    </xsd:restriction>
</xsd:simpleType>

This MUST adhere to a whitespaced syntax so that it is trivially machine-parsable. Each element is followed by its count, and the string is optionally ended by a formal charge. NO brackets or other nesting is allowed.

<cml title="formulaType example (concise)">
  <list>
    <formula id="methane" concise="C 1 H 4"/>
    <formula id="chloroacetate" concise="Cl 1 H 2 C 2 O 2 -1"/>
    <formula id="sodiumSulfate">
      <formula concise="H 2 O 1" count="10"/>
      <formula concise="Na 1 +1" count="2"/>
      <formula concise="S 1 O 4 -2"/>
    </formula>
  </list>
</cml>

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

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