Namespace http://www.xml-cml.org/schema/cml2/core

Namespace http://www.xml-cml.org/schema/cml2/core

Target Namespacehttp://www.xml-cml.org/schema/cml2/core
Declared Namespacesxmlns=http://www.xml-cml.org/schema/cml2/core
xmlns:cml=http://www.xml-cml.org/schema/cml2/core
xmlns:stm=http://www.xml-cml.org/schema/stmml
xmlns:val=http://www.w3.org/1999/XSL/TransformX
xmlns:xlink=http://www.w3.org/1999/xlink
xmlns:xsd=http://www.w3.org/2001/XMLSchema
Default Namespace Rules Global declarations belong to the declared targetNamespace
Local attribute declarations belong to no namespace
Local element declarations belong to the declared targetNamespace


Elements

amount
angle
array
atom
atomArray
atomParity
bond
bondArray
bondStereo
cml
crystal
electron
float
floatArray
formula
identifier
integer
integerArray
length
list
matrix
metadata
metadataList
molecule
name
observation
property
propertyList
scalar
string
stringArray
substance
substanceList
symmetry
torsion


Attributes

maxValue=
minValue=


Simple Types

angleUnitsType
atomIDType
atomRefArrayType
atomRefType
atomRefs2Type
atomRefs3Type
atomRefs4Type
bondRefArrayType
bondRefType
coordinate2Type
coordinate3Type
coordinateComponentArrayType
countType
dataTypeType
delimiterType
elementTypeArrayType
elementTypeType
errorBasisType
errorValueType
floatArrayType
formalChargeType
formulaType
hydrogenCountType
idType
integerArrayType
isotopeType
matrixType
maxType
metadataType
minType
namespaceRefType
nonHydrogenCountType
nonNegativeAngleType
occupancyType
orderArrayType
orderType
positiveAngleType
positiveNumberType
refType
sizeType
stateType
stereoType
torsionAngleType
unitsType


Attribute Groups

{angleUnits}=
{atomRef}=
{atomRefArray}=
{atomRefs2}=
{atomRefs3}=
{atomRefs4}=
{convention}=
{dataType}=
{delimiter}=
{dictRef}=
{errorBasis}=
{errorValue}=
{id}=
{mandatoryId}=
{max}=
{min}=
{ref}=
{size}=
{tit_id_convGroup}=
{tit_id_conv_dictGroup}=
{title}=
{units}=


Documentation

WARNING.

This document has been automatically generated from the XSD Schema, using XSLT stylesheets. Schemas are complex and it is not easy to produce the "best" view. It is possible that some information is included twice and (possibly) some is omitted. The Schema itself should always be taken as definitive


Curation.

This schema represents a fundamental core for future CML. Some of the earlier elements may be obsolete, and some will be moved into new CML schemaspaces. The vocabulary is essentially unaltered but the syntax is simpler and the validation is more powerful.

CML2.1 is the reference release for the JCICS publication and can be used with confidence that it will not be altered (other than essential bugfixes and addition documentation). Further versions will proceed via the CML2.2 branch, and are primarily driven by the need to support the extended CML family of schemas.


XSL validation.

There is a prototypic validation procedure based on XSLT stylesheets with namespace prefix val. The syntax is XSL. The only example occurs in bond at present. Some global val resources will be defined in this section.

  <xsd:appinfo>
    <val:key names="atoms" match="atom" use="@id"/>
    <val:key names="bonds" match="bond" use="@id"/>
    <val:key names="molecules" match="molecule" use="@id"/>
    <val:template name="error">
      <val:param name="error"/>
      <val:message>XSLT validation error: <val:value-of select="$error"/></val:message>
      <val:element name="error">
XSLT validation error: <val:value-of select="$error"/>
      </val:element>
    </val:template>
  </xsd:appinfo>
    


Namespace http://www.xml-cml.org/schema/cml2/core


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