![]() When delimiters are used to separate precise whitespace this should alwaysĬonsist of spaces and not the other allowed whitespace characters Only printableĬharacters from the ASCII character set should be used, and character There is no ambiguity as to what the components are. Note that the content string MUST start and end with the delimiter so Problematic punctuation, and a delimiter is required. However in some cases the values are empty, or contain whitespace or other ![]() Whitespace (which can be normalised) and this should be used whenever Note: the attribute xsi:type might be used to enforce the type-checking but I haven't worked this through yet.Ī single non-whitespace character to separate components in arrays.Ĭontent representing concatenated values. Tools for validation without major implementation problems. This means that implementers should be able to use standard XMLSchema-based (at present identical with those in XML-Schemas (Part2- datatypes). Examples are action, object or molecules.Īn enumerated type for all dataTypes in STM.ĭataTypeType represents an enumeration of allowed dataTypes Many elements represent objects which can occur an arbitrary number of times in a scientific context. this is correct but my software doesn't process it-> With JUMBO5.0 - so for the meantime we have removed the restriction : PMR the combination of dataType and list does not work Currently not used in STMML, but re-used by CML (see example). Used in array-style representation of 2-D or 3-D coordinates. Where these all refer to an X-coordinate (NOT x,y,z).Instances of this type will be In arrays and matrices, it may beĪn array of coordinateComponents for a single coordinate.Īn array of coordinateComponents for a single coordinate Numbers, separated by whitespace or commas. In arrays and matrices, it may be useful to set a separate delimiterĪn x/y/z coordinate triple consisting of three real Two real numbers, separated by whitespace or a comma. This example is schema-invalid as it has three floats No formal default.Ī pair of floats representing a complex number. This is being actively investigated by a IUPAC committee (2002) so the convention is likely to change. To avoid problems of guessing the convention. The components are grouped in threes ans separated by a semicolon Specified elsewhere - responsibility of schema creator.) If there is a means ![]() By default these are Cartesian coordinates (with units for multicentre or pi-bonds), electrons (for annotating reactions or describing electronic properties) or possibly other bonds (no examples yet). Geometrical definitions, bond groupings, etc.Ī reference to a bond may be made by atoms (e.g. It can also be used for arrays of bondIDTypes such as in complex stereochemistry, Geometrical definitions, atom groupings, etc.Ī reference to two distinct existing atoms in order.Ī reference to three distinct existing atoms in order.Ī reference to four distinct existing atoms in order.īe used in array-style representation of electron counts, etc. It can also be used for arrays of atomIDTypes such as in complex stereochemistry, Instances of this type willīe used in array-style representation of bonds and atomParitys. Atom IDs should notīe typed as XML IDs since they may not validate.Ĭannot be schema- or schematron-validated. (though this clearly has its limitation). It is also useful if the prefix is the ID for the molecule The prefix is intended to form a pseudo-namespace so thatĪtom IDs in different molecules may have identical suffixes. Whitespace is forbidden, so IDs from (say) PDB files are This is similar to XML IDs (and we promote Of the form prefix:suffix where prefix and suffixĪre purely alphanumeric (with _ and -) and prefix This adds semantics to an _alternative_ and might be used by an RDF or related engine. Documentation for Chemical Markup Language (CML)ĭescribes whether child elements are sequential or parallel.
0 Comments
Leave a Reply. |
Details
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |