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test(fmt): add minimal corpus files
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jnooree committed Dec 24, 2024
1 parent 148b406 commit 5a049f9
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1 change: 1 addition & 0 deletions fuzz/corpus-min/cif/1a8o.cif
1 change: 1 addition & 0 deletions fuzz/corpus-min/cif/components_stdres.cif
27 changes: 27 additions & 0 deletions fuzz/corpus-min/cif/line_cont.cif
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data_contin
_test1
;C:\\foldername\\filename
;
_test2
;\\
C:\\foldername\\filename
;
_test3

;\\
C:\\foldername\\file\\
name
;
_test4
;
C:\\foldername\\file\\
name
;
_test5
;\\
C:\\foldername\\file\\\\

name\\


;
27 changes: 27 additions & 0 deletions fuzz/corpus-min/cif/line_cont_new.cif
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data_contin
_test1
;C:\foldername\filename
;
_test2
;\
C:\foldername\filename
;
_test3

;\
C:\foldername\file\
name
;
_test4
;
C:\foldername\file\
name
;
_test5
;\
C:\foldername\file\\

name\


;
10 changes: 10 additions & 0 deletions fuzz/corpus-min/cif/simple_loop.cif
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@@ -0,0 +1,10 @@
data_loop
loop_
_pdbx_audit_revision_item.ordinal
_pdbx_audit_revision_item.revision_ordinal
_pdbx_audit_revision_item.data_content_type
_pdbx_audit_revision_item.item
1 5 'Structure model' '_atom_site.B_iso_or_equiv'
2 5 'Structure model' '_atom_site.Cartn_x'
3 5 'Structure model' '_atom_site.Cartn_y'
4 5 'Structure model' '_atom_site.Cartn_z'
26 changes: 26 additions & 0 deletions fuzz/corpus-min/cif/star_fig1.cif
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@@ -0,0 +1,26 @@
global_
_compound.trial 4
_compound.source FDA
data_synthesis
_sample.length 5.84
_sample.shape 'needle'
_solvent.base Methanol
_sample.orientation '[1,0,2]'
global_
_experiment.source 'ConvBeamEI'
_experiment.date 2011-06-09
data_experiment
_images.collected 1289
_images.refined 894
save_fragment_1
_molecular.weight 234
_bond_length.max 2.7
save_
save_fragment_2
_molecular.weight 23
_bond_length.max 1.1
_fragment.parent fragment_1
save_
data_publication
_author.details 'A.B. Smith'
_author.laboratory 'LLNL'
9 changes: 9 additions & 0 deletions fuzz/corpus-min/mol2/basic.mol2
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@<TRIPOS>MOLECULE
methane
1 0 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 C1 -0.0127 1.0858 0.0080 C.3
16 changes: 16 additions & 0 deletions fuzz/corpus-min/mol2/cba.mol2
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@<TRIPOS>MOLECULE
carboxylic acid
4 3 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 C1 -0.0127 1.0858 0.0080 C.3
2 C2 -0.7181 1.5718 1.2479 C.2
3 O3 -0.8566 2.8886 1.4687 O.3
4 O4 -1.1590 0.7762 2.0432 O.2
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 2
15 changes: 15 additions & 0 deletions fuzz/corpus-min/mol2/cba2.mol2
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@@ -0,0 +1,15 @@
@<TRIPOS>MOLECULE
carboxylic acid
4 3 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.0331
2 C 0.0000 0.0000 0.0000 C.2 1 UNL1 0.3016
3 O 0.0000 0.0000 0.0000 O.3 1 UNL1 -0.4808
4 O 0.0000 0.0000 0.0000 O.2 1 UNL1 -0.2513
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 2
16 changes: 16 additions & 0 deletions fuzz/corpus-min/mol2/cba3.mol2
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@@ -0,0 +1,16 @@
@<TRIPOS>MOLECULE
carboxylate
4 3 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 C1 -0.0127 1.0858 0.0080 C.3
2 C2 -0.7181 1.5718 1.2479 C.2
3 O3 -0.0841 1.7780 2.2687 O.co2
4 O4 -1.9227 1.7588 1.2302 O.co2
@<TRIPOS>BOND
1 1 2 1
2 2 3 ar
3 2 4 ar
15 changes: 15 additions & 0 deletions fuzz/corpus-min/mol2/cba4.mol2
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@@ -0,0 +1,15 @@
@<TRIPOS>MOLECULE
carboxylate
4 3 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.1258
2 C 0.0000 0.0000 0.0000 C.2 1 UNL1 0.3654
3 O 0.0000 0.0000 0.0000 O.co2 1 UNL1 -0.2456
4 O 0.0000 0.0000 0.0000 O.co2 1 UNL1 -0.2456
@<TRIPOS>BOND
1 1 2 1
2 2 3 ar
3 2 4 ar
17 changes: 17 additions & 0 deletions fuzz/corpus-min/mol2/charged.mol2
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@<TRIPOS>MOLECULE
quaternary ammonium salt
5 4 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.1712
2 N 0.0000 0.0000 0.0000 N.4 1 UNL1 0.3151
3 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.1712
4 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.1712
5 C 0.0000 0.0000 0.0000 C.3 1 UNL1 0.1712
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 1
18 changes: 18 additions & 0 deletions fuzz/corpus-min/mol2/charged2.mol2
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@@ -0,0 +1,18 @@
@<TRIPOS>MOLECULE
quaternary ammonium salt
5 4 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 C1 0.0021 -0.0041 0.0020 C.3
2 N2 -0.0178 1.4648 0.0101 N.4
3 C3 1.3603 1.9732 -0.0003 C.3
4 C4 -0.7283 1.9514 -1.1800 C.3
5 C5 -0.7054 1.9385 1.2187 C.3
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 1
24 changes: 24 additions & 0 deletions fuzz/corpus-min/mol2/cpm.mol2
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@@ -0,0 +1,24 @@
@<TRIPOS>MOLECULE
Cyclopentadienyl anion
5 5 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.2250
2 C 0.0000 0.0000 0.0000 C.2 1 UNL1 -0.4635
3 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.2250
4 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.0433
5 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.0433
@<TRIPOS>UNITY_ATOM_ATTR
2 1
charge -1
@<TRIPOS>BOND
1 1 2 ar
2 2 3 ar
3 3 4 ar
4 4 5 ar
5 1 5 ar
# Name: NoName

# Program: corina 4.4.0 0026 12.08.2021
24 changes: 24 additions & 0 deletions fuzz/corpus-min/mol2/cpm2.mol2
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@@ -0,0 +1,24 @@
@<TRIPOS>MOLECULE
Cyclopentadienyl anion
5 5 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 C1 1.0980 1.9060 0.0018 C.2
2 C2 -0.0126 1.0758 0.0080 C.2
3 C4 -1.1453 1.8755 0.0170 C.2
4 C5 -0.7347 3.1999 0.0254 C.2
5 C6 0.6517 3.2188 0.0126 C.2
@<TRIPOS>BOND
1 1 5 2
2 1 2 1
3 2 3 1
4 3 4 2
5 4 5 1
@<TRIPOS>UNITY_ATOM_ATTR
2 1
charge -1

# End of record
21 changes: 21 additions & 0 deletions fuzz/corpus-min/mol2/cpm3.mol2
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@@ -0,0 +1,21 @@
@<TRIPOS>MOLECULE
Cyclopentadienyl anion
5 5 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.2250
2 C 0.0000 0.0000 0.0000 C.2 1 UNL1 -0.4635
3 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.2250
4 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.0433
5 C 0.0000 0.0000 0.0000 C.ar 1 UNL1 -0.0433
@<TRIPOS>BOND
1 1 2 ar
2 2 3 ar
3 3 4 ar
4 4 5 ar
5 1 5 ar
# Name: NoName

# Program: corina 4.4.0 0026 12.08.2021
20 changes: 20 additions & 0 deletions fuzz/corpus-min/mol2/cpm4.mol2
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@@ -0,0 +1,20 @@
@<TRIPOS>MOLECULE
Cyclopentadienyl anion
5 5 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 C1 1.0980 1.9060 0.0018 C.ar
2 C2 -0.0126 1.0758 0.0080 C.ar
3 C4 -1.1453 1.8755 0.0170 C.ar
4 C5 -0.7347 3.1999 0.0254 C.ar
5 C6 0.6517 3.2188 0.0126 C.ar
@<TRIPOS>BOND
1 1 5 2
2 1 2 1
3 2 3 1
4 3 4 2
5 4 5 1
# End of record
12 changes: 12 additions & 0 deletions fuzz/corpus-min/mol2/extraprop.mol2
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@@ -0,0 +1,12 @@
@<TRIPOS>MOLECULE
****
1 0 0 0 0
SMALL
GASTEIGER
****

@<TRIPOS>ATOM
1 N 0.0000 0.0000 0.0000 N.4 1 UNL1 1.0000
@<TRIPOS>UNITY_ATOM_ATTR
1 1
test prop
24 changes: 24 additions & 0 deletions fuzz/corpus-min/mol2/guanidine.mol2
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@@ -0,0 +1,24 @@
@<TRIPOS>MOLECULE
guadinium-like
7 6 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 N 0.0000 0.0000 0.0000 N.pl3 1 UNL1 0.1360
2 C 0.0000 0.0000 0.0000 C.cat 1 UNL1 0.5446
3 N 0.0000 0.0000 0.0000 N.pl3 1 UNL1 0.0168
4 C 0.0000 0.0000 0.0000 C.cat 1 UNL1 0.5446
5 N 0.0000 0.0000 0.0000 N.pl3 1 UNL1 0.1360
6 N 0.0000 0.0000 0.0000 N.pl3 1 UNL1 0.1360
7 N 0.0000 0.0000 0.0000 N.pl3 1 UNL1 0.1360
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 2 7 2
# Name: NoName

# Program: corina 4.4.0 0026 12.08.2021
27 changes: 27 additions & 0 deletions fuzz/corpus-min/mol2/guanidine2.mol2
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@@ -0,0 +1,27 @@
@<TRIPOS>MOLECULE
guadinium-like
7 6 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 N1 1.1391 3.0624 -0.0827 N.pl3
2 C2 -0.0145 3.6922 0.1261 C.cat
3 N3 -0.8308 3.3054 1.1618 N.pl3
4 C4 -0.3907 2.3758 2.0732 C.cat
5 N5 -1.2588 1.7768 2.8847 N.pl3
6 N6 0.9036 2.0745 2.1443 N.pl3
7 N9 -0.3776 4.6964 -0.6680 N.pl3
@<TRIPOS>BOND
1 1 2 ar
2 2 3 ar
3 2 7 ar
4 3 4 ar
5 4 5 ar
6 4 6 ar

# End of record
# Name: NoName

# Program: corina 4.4.0 0026 12.08.2021
18 changes: 18 additions & 0 deletions fuzz/corpus-min/mol2/guanidine3.mol2
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@@ -0,0 +1,18 @@
@<TRIPOS>MOLECULE
guadinium
4 3 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1 N1 -0.0111 0.9658 0.0074 N.pl3
2 C2 -1.1814 1.6205 0.0165 C.cat
3 N3 -2.3336 0.9343 0.0182 N.pl3
4 N4 -1.1996 2.9614 0.0238 N.pl3
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 1

# End of record
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