Moved partition function definition to molecules, changed nuclear spi…

…n isomer to element in partition function. Added A and E to possible nuclear spin isomer values
misdoro · Jul 26, 2012 · e31d62c · e31d62c
1 parent eadbb1a
commit e31d62c
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Showing 2 changed files with 18 additions and 17 deletions.
diff --git a/statesMolecules.xsd b/statesMolecules.xsd
@@ -261,6 +261,8 @@
 			<xs:enumeration value="ortho"/>
 			<xs:enumeration value="meta"/>
 			<xs:enumeration value="para"/>
+			<xs:enumeration value="A"/>
+			<xs:enumeration value="E"/>
 		</xs:restriction>
 	</xs:simpleType>
 
@@ -317,6 +319,22 @@
 		</xs:complexContent>
 	</xs:complexType>
 
+	<xs:complexType name="PartitionFunctionType">
+		<xs:annotation>
+			<xs:documentation>The partition function as a function of temperature: Q(T), expressed as a pair of
+			DataSeries columns</xs:documentation>
+		</xs:annotation>
+		<xs:complexContent>
+			<xs:extension base="PrimaryType">
+				<xs:sequence>
+					<xs:element name="T" type="DataSeriesType" minOccurs="1" maxOccurs="1"/>
+					<xs:element name="Q" type="DataSeriesType" minOccurs="1" maxOccurs="1"/>
+					<xs:element name="NuclearSpinIsomer" type="NuclearSpinIsomerType" minOccurs="0"/>
+				</xs:sequence>
+			</xs:extension>
+		</xs:complexContent>
+	</xs:complexType>
+
 	<xs:complexType name="ReferencedTextType">
 		<xs:complexContent>
 			<xs:extension base="PrimaryType">

diff --git a/typesAttributes.xsd b/typesAttributes.xsd
@@ -636,23 +636,6 @@
 		</xs:complexContent>
 	</xs:complexType>
 
-
-	<xs:complexType name="PartitionFunctionType">
-		<xs:annotation>
-			<xs:documentation>The partition function as a function of temperature: Q(T), expressed as a pair of
-			DataSeries columns</xs:documentation>
-		</xs:annotation>
-		<xs:complexContent>
-			<xs:extension base="PrimaryType">
-				<xs:sequence>
-					<xs:element name="T" type="DataSeriesType" minOccurs="1" maxOccurs="1"/>
-					<xs:element name="Q" type="DataSeriesType" minOccurs="1" maxOccurs="1"/>
-				</xs:sequence>
-				<xs:attribute name="nuclearSpinIsomer" type="xs:string"/>
-			</xs:extension>
-		</xs:complexContent>
-	</xs:complexType>
-
 	<xs:simpleType name="TransitionType">
 		<xs:annotation>
 			<xs:documentation>Describes the transition type, excitation or deexcitation</xs:documentation>