This is part of the CmlMicroformats documentation

Representing and identifying input quantities in CMLComp

Parameters is a title for data within CMLComp which is specified as input in the course of a computational workflow. For example, this might be the initial temperature or pressure of a molecular dynamics run.

(Note that this specification very closely parallels that of CmlProperties).

Parameters are written in CML by encoding the relevant quantity using the microformats shown in CmlData, and then wrapping that with a <parameter> tag, carrying certain attributes which describe the property.

  • There SHOULD be a dictRef attribute (see CmlDictRefs?) which points to a dictionary entry describing (either in human- or machine-readable fashion) the context and meaning of the parameter in question. This MUST be a QName, and the relevant namespace prefix MUST be declared. (However, there is no requirement that the dictionary referred to be accessible, or even exist.)
  • There MAY be a title attribute which is a short title, intended only for human consumption, describing this quantity. This alone will not be sufficient for full disambiguation, but might be used for eg displaying a title for the quantity in a visualization program. This may be any string, and CMLComp places no rules on its interpretation.
  • There MAY be an id attribute, which must be an XML Name. (See CmlIdRef? for further information on the meaning and use of id/ref attributes.)
  • CMLComp puts no further restrictions on any attributes (in any, or no namespace) which may be put on a <parameter> tag.

Thus, for example:

<parameter title="Initial temperature" dictRef="dlpoly:Tinit">
  <scalar dataType="fpx:real" units="dlpolyUnits:K"> 298.15 </scalar>
</property>