.TH DDLM_VALIDATE 1 .SH NAME ddlm_validate \- validate CIF files against DDLm\-compliant CIF dictionaries. .SH SYNOPSIS ddlm_validate \-\-dictionaries 'cif_core.dic,cif_cod.dic' \-\-options input1.cif input*.cif .SH DESCRIPTION Validate CIF files against DDLm\-compliant CIF dictionaries. .SH OPTIONS \-d, \-\-dictionaries 'cif_core.dic,cif_cod.dic' A list of DDLm\-compliant CIF dictionary files that the CIF files should be validated against. List elements are separated either by ',' or by ' '. To include dictionaries with filenames containing these symbols, the \-\-add\-dictionary option should be used. \-D, \-\-add\-dictionary 'cif new dictionary.dic' Add an additional CIF dictionary to the list. \-\-clear\-dictionaries Remove all CIF dictionaries from the list. \-I, \-\-add\-ddlm\-import\-path './ddlm/cod/' Prepend an additional directory to the dictionary import path. The dictionary import path specifies a list of directories in which to look for files that are imported by DDLm\-compliant CIF dictionaries. Directories provided using this option are assigned the highest priority and are searched prior to the directories listed in the COD_TOOLS_DDLM_IMPORT_PATH environment variable or the default import path (directory of the importing dictionary). \-\-clear\-ddlm\-import\-path Remove all directories from the dictionary import path that were added using the \-\-add\-ddlm\-import\-path option. Neither COD_TOOLS_DDLM_IMPORT_PATH environment variable nor the default import path is affected by this option. \-\-max\-message\-count 5 Maximum number of validation messages that are reported for each unique combination of validation criteria and validated data items. Provide a negative value (i.e. \-1) to output all of the generated validation messages (default: \-1). \-\-range\-su\-multiplier 3.5 Multiplier that should be applied to the standard uncertainty (s.u.) when determining if a numeric value resides in the specified range. For example, a multiplier of 3.5 means that the value is treated as valid if it falls in the interval of [lower bound \- 3.5 * s.u.; upper bound + 3.5 * s.u.] (default: 3). \-\-treat\-as\-set _atom_site_refinement_flags Treat values of given data items as a set. For example, more than one enumeration value could be defined for a single element. Any number of data items can be specified in the following way: ddlm_validate \-\-treat\-as\-set _tag_1 \-\-treat\-as\-set _tag_2 The default consists of the '_atom_site_refinement_flags' and '_atom_site.refinement_flags' data items. \-\-no\-treat\-as\-set Do not treat values of any data items as sets. (see \-\-treat\-as\-set). \-\-report\-deprecated Report the presence of data items that are marked as deprecated in the dictionaries. Data item deprecation usually means that it has been replaced with an another data item. \-\-ignore\-deprecated Do not report the presence of data items that are marked as deprecated in the dictionaries (default). \-\-report\-local\-tags Report the presence of local data items. \-\-no\-report\-local\-tags, \-\-ignore\-local\-tags Do not report the presence of local data items (default). \-\-report\-missing\-su Report measurand data items that are not accompanied by the mandatory standard uncertainty values. \-\-no\-report\-missing\-su, \-\-ignore\-missing\-su Do not report measurand data items that are not accompanied by the mandatory standard uncertainty values (default). \-\-continue\-on\-errors Do not terminate script if errors are raised. \-\-die\-on\-errors Terminate script immediately if errors are raised (default). \-\-continue\-on\-warnings Do not terminate script if warnings are raised (default). \-\-die\-on\-warnings Terminate script immediately if warnings are raised. \-\-continue\-on\-notes Do not terminate script if notes are raised (default). \-\-die\-on\-notes Terminate script immediately if notes are raised. \-\-help, \-\-usage Output a short usage message (this message) and exit. \-\-version Output version information and exit. .SH "ENVIRONMENT" COD_TOOLS_DDLM_IMPORT_PATH A list of directories in which to look for the DDLm\-compliant CIF dictionaries that are imported by other DDLm\-compliant CIF dictionaries. List elements are separated by the colon symbol (':'). Directories listed in COD_TOOLS_DDLM_IMPORT_PATH have a lower priority than those provided using the command line option (\-\-add\-dictionary\-import\-path), but higher than the default import path directory (directory of the importing dictionary). .SH "REPORTING BUGS" Report ddlm_validate bugs using e\-mail: cod\-bugs@ibt.lt