table of contents
| cif_find_duplicates() | cif_find_duplicates() |
NAME¶
cif_find_duplicates - Find COD numbers for the .cif files in given directories of file lists.SYNOPSIS¶
cif_find_duplicates --options my-cif-dir1/ my-cif-dir2/files*.cif COD-cif-dir/DESCRIPTION¶
Find COD numbers for the .cif files in given directories of file lists.OPTIONS¶
-c, --always-continue Continue processing and return successful return status even if errors are diagnosed.-c-, --always-die Stop and return error status if errors are diagnosed.
--max-cell-length-difference 0.5 Maximum difference of unit cell lengths allowed for entries regarded as the same, in angstroms (default 0.5).
--max-cell-angle-difference 1.2 Maximum difference of unit cell angles allowed for entries regarded as the same, in angstroms (default 1.2).
--check-bibliography Only CIFs that have different bibliography data are declared different if all other parameters match. CIFs with missing bibliographies are assumed to have matching bibliographies (default).
--dont-check-bibliography, --no-check-bibliography Ignore bibliographic data of all CIFs; thus even files with different bibliographies will be regarded the same if their cells, chemical formulae and measurement conditions match.
--ignore-sigma, --dont-use-sigma, --no-use-sigma Ignore standard uncertainties (sigmas) when comparing unit cell constants.
--dont-ignore-sigma, --no-ignore-sigma, --use-sigma Use standard deviations (sigmas) when comparing unit cell constants (default).
--check-sample-history Only CIFs that have different sample history data (as recorded in the _exptl_crystal_thermal_history and _exptl_crystal_pressure_history tags) are declared different if all other parameters match.
--dont-check-sample-history,
--no-check-sample-history,
--disregard-sample-history Ignore sample history of all CIFs; thus even files with different sample histories will be regarded the same if their cells, chemical formulae and measurement conditions match (default).
--continue-on-errors Do not terminate script if errors are raised.
--die-on-errors, --dont-continue-on-errors,
--do-not-continue-on-errors, --no-continue-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.
--use-perl-parser Use Perl parser to parse CIF files.
--use-c-parser Use C parser to parse CIF files (default).
--help, --usage Output a short usage message (this message) and exit.
--version Output version information and exit.