Index of /data/main/c/cod-tools/2.3+dfsg-3/tests/inputs
Parent Directory
0000345-chem-formula-with-star.cif
003-unique-a.symops
004-unique-b.symops
006_ethylnitramine.cif
00606-fixed.cif
00993.cif
010-unique-a.symops
011-unique-c.symops
014_hexabromoethane.cif
016.symops
04530.cif
051.symops
085-all.symops
085-first-5.symops
08755.cif
2-entries-AMCSD-cifdata.cif
2-entries-AMCSD-global.cif
4PR4-spoiled.cif
10.1021-acs.organomet.5b00864.cif
230.symops
2003_Toby_1290_example.cif
10010.cif
11678.cif
12801.cif
12917-reformated-authors.cif
12917.cif
1000000-bad-formula.cif
1000000-decomp-sigma.cif
1000000-fake-on-hold.cif
1000000-modified-enums.cif
1000000-negative-temperature-sigma.cif
1000000-no-header.cif
1000000-only-temperature-sigma.cif
1000000-with-orig-sg-H-M.cif
1000000.cif
1000001.mpod
1000001.mpod2
1000001.mpod3
1000002-occupancy-questionmarks.cif
1000002-test-hall.cif
1000002-test-hm.cif
1000002-test-hm2.cif
1000002-test-symop.cif
1000002-unknown-atom-type.cif
1000002.mpod
1000003.mpod
1000023.cif
1000026-MgB2.cif
1000035.cif
1000039.cif
1000049.cif
1000051.mpod
1000054.cif
1000055-unrecognised-spacegroup.cif
1000055-wrong-symops.cif
1000066.mpod
1000082.mpod3
1000098.mpod
1000105-no-site-symops.cif
1000112.mpod
1000125-cell-diff.cif
1000158.mpod
1000200.mpod
1000289.mpod
1000293.mpod
1000293.mpod3
1000451.cif
1001012-no-cell.cif
1001031.cif
1001614.cif
1001627-spacegroup-A-1.cif
1004000-atom-names-not-unique.cif
1004001-disorder.cif
1004001-disorder_mols.cif
1004001.cif
1004008-90-dot.cif
1008355-prepared-at-T.cif
1008449.cif
1008954.cif
1010003-P1.cif
1010050-zero-sigmas.cif
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1010800-no-spcgrp-info.cif
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1011023.cif
1011060-graphite-atom-label.cif
1011060-graphite-atom-type-symbol.cif
1011060-graphite-err.cif
1011060-graphite.cif
1100015.cif
1100068-heated-and-cooled.cif
1100107-spacegroup-with-underscore.cif
1100117.cif
1100163-correct-values.cif
1100163-enums.cif
1100163-modif-enums.cif
1100192-r-factor.cif
1100656_molecule_0.cif
1100656_molecule_0_INV.cif
1100656_molecule_1.cif
1100688-wr-factor-notice.cif
1100709-uqstring-brackets.cif
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1100933-modif-enums.cif
1100974-wr-factor.cif
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1101101-enum-notes.cif
1101113-no-atom-site-label.cif
1101133-wrong-number-of-elements.cif
1101133.cif
1101137-r-factor.cif
1101171-enums-varnings.cif
1200017.cif
1501469-Fobs-like.cif
1501469-good.hkl
1501469-non-ascii.hkl
1501469-stray.hkl
1501469.cif
1501469.hkl
1501508.cif
1502949-obabel.sdf
1502949-stoichiometric.cif
1502949.cif
1505873-excerpt.cif
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1506846-atom-labels-with-escape-symbols.cif
1516136.cif
1518798.cif
1518798.hkl
2000000-cif-special-values.cif
2000000-no-spacegroup.cif
2000000-no-symmetry.cif
2000000-no-symops.cif
2000000-only-ITC-number.cif
2000000-trimmed.cif
2000000_e_kelvins.cif
2000000_e_temperature.cif
2000056.cif
2000080-molecule.cif
2000127-unknown-coordinates.cif
2000135-dummy-atom-coordinates.cif
2000135.cif
2000136-old.cif
2000136-reprocessed.cif
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2004198-no-cell-angles.cif
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2020013.hkl
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2100348-benzene-dist-test.cif
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2104389-superspacegroup-symops.txt
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2105810-superspacegroup-symops.txt
2105936-strange-centering.cif
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2201319.cif
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2204100-authors-cif.txt
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2231955-jumbo.sdf
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2231955.cml
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4302333-Ortho-and-missing-braces.cif
4302503.cif
4302587-symetry.cif
4302713-superspacegroup-symops.txt
4302974_undef_temperature.cif
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4307095-superspacegroup-symops.txt
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4341765-superspacegroup-symops.txt
4503694.cif
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5000332.cif
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7202742-superspacegroup-symops.txt
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9013187-pressure-hist.cif
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9013273-Pressure.cif
9014915.cif
10000001.cif
20000097.cif
AMCSD/
AMCSD0000001.cif
Ac-OQMD-1514.cif
Acta-Chem-Scand-1999-53-103-113-1.cif
B009077H-latin1-enc.TXT
B607768D.cif
B607768D.txt
Burford.cif
Burford_2000_p152.cif
Burford_2000_p152.ref
Burford_2000_p152_crude.cif
Burford_2000_p152_crude.xrf
C0CC02972F.TXT
CIF2-Unicode.cif
CIF2-features.cif
COD-rev-133806-uniq-4D-ssg-symops.txt
COD-rev-133806-uniq-5D-ssg-symops.txt
COD-rev-133806-uniq-ssg-symops.txt
Carbó-bibliography.mrk
Carbó-bibliography.txt
Carbó.cif
Carbó_2002_p305.ref
Carbó_2002_p305.xrf
Carbó_2002_p305_crude.cif
Carbo.cif
Carbo_clean-no-cell-volume.cif
Carbo_clean.cif
Cottone-bibliography.mrk
Cottone-bibliography.txt
Cottone.cif
Cottone_2002_p418.ref
Cottone_2002_p418_crude.cif
Cottone_2002_p418_crude.xrf
DDLm_3.11.09.dic
F222-all.symops
F222-first-5.symops
F222-first-9.symops
Hall2006-transformed-CIF.cif
Hopelesly-broken.cif
P31.symop
P32.symop
P61.symop
P62.symop
P63.symop
P64.symop
P65.symop
PMN0_36PT_DC4.cif
R3H.symops
Ruzicka-cif.txt
Ruzicka-utf8.txt
SVN-header-COD.txt
Si2.cif
add_limits.lst
add_limits_2.lst
add_limits_3.lst
aiida_exported.cif
aiida_exported_gzipped.cif
aiida_exported_qp.cif
allcod-atom-sites-solution-hydrogens.cif
at2246-ce-code-with-a-dot.cif
at2246-changed-tag-case.cif
at2246-title-with-quotes-and-backslashes.cif
at2246-with-cod-orig-file.cif
at2246-with-misspelled-tag.cif
at2246.cif
at2246_tag_not_in_dict.cif
at2246_tag_not_in_dict_errs.cif
b002906h-bibliography.cif
b002906h-problems-with-merged-biblio.cif
b008262g-missing-closing-quote.cif
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b303335j-multiple-enum-fixes.txt
b413434f.txt
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b415935g-replacement-list.lst
b500209E-multiple-temperature-fixes.txt
b605326b-no-formula-sum.cif
b910749e.txt
bibliography.txt
bk5076100Ksup2-extract.fcf
br6138-filtered.cif
br6138-with-orig-file-filt.cif
br6138-with-orig-file.cif
br6138.cif
bs5068-estimated-sg.cif
bs5068.cif
bs5069-estimated-sg.cif
bs5069.cif
bs5069_data_FeZprime8-estimated-sg.cif
caffeine-obabel-gen3D.cif
ccdc_compound_id.cif
cell-sigma.cif
cell-sigma1.cif
cell_constraints.cif
cell_parameters-additional-author.hkl
cell_parameters-different-a.cif
cell_parameters-different-spacegroup.hkl
cell_parameters-lowercase.hkl
cell_parameters-sg-off-bounds1.hkl
cell_parameters-sg-off-bounds2.hkl
cell_parameters-sg.cif
cell_parameters-sg.hkl
cell_parameters.cif
cell_parameters.hkl
cif-degree-aring.ciftxt
cif-degree-aring.utf8
cif-markup.cif
cif-parser-tests/
cif.txt
cif_cod.dic
cif_cod_check-numeric-values.cif
cif_core-modif-symmetry-values.dic
cif_core.dic
cif_core_absorpt_correction_type_dublic.dic
cif_core_add.dic
cif_core_dict_info.dic
cif_core_refinement_status_dublic.dic
cif_diff_001a.cif
cif_diff_001b.cif
cif_diff_001c.cif
cif_distances-[local]-duplicate.cif
cif_distances-disorder-assembly-dot.cif
cif_distances-disorder-assembly-underscore.cif
cif_distances-disorder-group-dot.cif
cif_distances-disorder-group-underscore.cif
cif_distances-duplicate.cif
cif_distances-no-cell-angles.cif
cif_distances-no-cell-lengths.cif
cif_distances-no-label.cif
cif_distances-no-symops.cif
cif_distances-simple.cif
cif_distances-special-position.cif
cif_distances-unknown-elements.cif
cif_fix_val_024.cif
cif_fix_val_23.cif
cif_values_with_dq.cif
cifdata_7009762.cif
cifdata_7013301.cif
cifs-with-errors/
close-cells/
cm903170t_si_001-filtered-and-broken.cif
cm903170t_si_001-filtered-with-cell.cif
cm903170t_si_001-filtered.cif
cm903170t_si_001.cif
cod-changed-Z-values/
cod-different-contents/
cod-similar-angles/
cod-with-errors/
cod1/
cod2/
cod_citation_special_details.cif
comments_in_text.cif
converted.cif
ctrl-Z.cif
cubic_as_slanted.cif
data_empty.cif
database-description_v1.0.xml
ddl1_core.dic
default_table_enums.lst
deprecated.cif
determination_methods.cif
dollar_value.cif
dot-and-underscore-IT.cif
double_cod_database_code.cif
dummy_CIF_Core_2.4.4.cif
duplicate/
duplicate2/
duplicate_first_empty.cif
duplicate_first_empty2.cif
duplicate_identical_tag.cif
duplicate_loop_tag.cif
duplicate_second_empty.cif
duplicate_second_empty2.cif
empty.cif
empty_chem_name.cif
er2044.bibtex
er2044.cif
er2044.mrk
error_messages_with_comments.lst
error_messages_with_explanations.lst
escaped_error_messages.lst
escapes.dic
estimate_Z_missing_values.cif
exptl_crystal_density_meas_with_Mg_per_m3_and_temp.cif
extra-tags.lst
fake_limits_table.lst
fix-density-meas.cif
fix-misspelled-symmetry-cell-setting.cif
fix-weighting-scheme.cif
formula1/
formula2/
formulae.cif
funny-disorder-markups.cif
funny_values.cif
generic.cif
global_biblio.cif
greek.txt
html-entities-test.txt
ic0485312si20041025_103940_5-ED.cif
ic0485312si20041025_103940_5.cif
ic048548ksi20041016_122440_1.cif
incorrect_replacement_values.lst
irresolvable-symops.cif
ja063963ssi20060606_082513.cif
ja211517h_si_003.cif
ja211517h_si_003.hkl
ja1092375_si_002.cif
ja1092375_si_002_ED.cif
ja1092375_si_002_ED2.cif
ja1092375_si_002_ED3.cif
ja1092375_si_002_ED4.cif
ja1092375_si_002_ED5.cif
ja1092375_si_003.cif
ja1092375_si_003_ED.cif
jo026649z_s2_1-duplicate-tags.cif
jo030050x.cif
jo030173h_01-double-quotes.cif
jo030173h_01.cif
jo701559q-File003.cif
jo701669p-file003.cif
journal1/
journal2/
limits.lst
list-only-items.cif
loop_unquoted_01.inp
looped_cell_constants.cif
looped_correct_tag.cif
looped_fixable_values.cif
looped_misspelt_tag.cif
malformed_symop.cif
malformed_symop_new_sym_tag.cif
many_duplicates.cif
match-multiple-bibliographies.cif
merge_1a.cif
merge_1b.cif
merge_2a.cif
merge_2b.cif
merge_3a.cif
merge_3b.cif
merge_7b.cif
missing-cell-constants.cif
missing-closing-double-quote.cif
missing_tcod_tags.cif
misspelt_tags_different_values.cif
misspelt_tags_same_values.cif
mmcif_pdbx_v40.dic
mmcif_std.dic
multiline-names.cif
multiline_error_messages.lst
multiple-bibliographies.cif
new_symop_tag.cif
no-Cartn_x.cif
no-geom-reference.cif
no-match-multiple-bibliographies.cif
no-x.cif
no-xU.cif
no-yz.cif
no-z.cif
no_Z_valid_estimation.cif
non-ascii-digit.cif
non-numeric_Z.cif
om400620h_si_001.cif
om4005498_si_003-filtered.cif
oqmd-1514.cif
oqmd-1514.sqlite3
oqmd-104812.cif
oqmd-104830.cif
oqmd-1120390.cif
oqmd-1769667.cif
oqmd-1837564.cif
pdCIF_struct-complete-bipartite.cif
pdCIF_struct-missing-datablock.cif
pdCIF_struct-missing-symmetric-link.cif
pdCIF_struct-not-enumerated.cif
pdCIF_struct-sparse-connectivity.cif
pdCIF_struct_test.cif
placeholder-values.cif
prefixed-dois.cif
pressures/
pressures2/
pressures3/
pubmed_like_names.cif
quartz-and-water-same-journal.cif
quartz-and-water.cif
quote-in-quoted.cif
redudant-chemical-names.cif
refinement_flags_set.cif
related_empty_entry.cif
related_fully_populated_entry.cif
related_items_with_differing_counts.cif
related_looped_foreign_data_item.cif
related_looped_foreign_no_id.cif
related_looped_no_id_entry.cif
related_partially_populated_entry.cif
related_unlooped_full_entry.cif
related_unlooped_no_id_entry.cif
replacement_tags.lst
replacement_values.lst
sample-history/
se0086-no-first-header.cif
se0086-no-second-header.cif
se0086.cif
se0086.mrk
series9/
sg_estimate_Aeaa1.cif
sg_names_with_e.cif
simple_error_messages.lst
sn5033sup1.cif
sn5100-superspacegroup-BAD-symops.txt
sn5100-superspacegroup-matrices.txt
sn5100-superspacegroup-noncanonical.txt
sn5100-superspacegroup-symops.txt
sn5100-superspacegroup-symops2.txt
sn5100-superspacegroup.cif
special_atom_site_type_symbol_values.cif
specimen-suppport.cif
square-molecule.cif
standard_uncertainties.cif
tags.lst
tcod-crafted.cif
test-biblio-no-data.cif
test-biblio-stray-vals.cif
test-biblio.cif
test_for_replacement_values.cif
testcod-40000xx.sqlite3
testcod-1000000.sqlite3
testcod-1000055.sqlite3
testcod-2000141.sqlite3
testcod-2010123.sqlite3
testcod-2100202.sqlite3
testcod-8100760-on-hold.sqlite3
testcod-8100760.sqlite3
testcod-angles.sqlite3
testcod-empty.sqlite3
unfolding-trailing-spaces.cif
unknown_tag.cif
unparsable-formulae1/
unparsable-formulae2/
utf8.txt
values-as-keywords-in-uppercase.cif
values-as-keywords.cif
var-cells/
various-CIF2-values.cif
vn2124sup1-trimmed.cif
volume_with_letter.cif
whitespaced_error_messages.lst
wrong-multiplicity.cif
zq2107.cif
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