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READMEH A D26-Jul-2019826 2821

molecule_00_0.dimacsH A D26-Jul-2019904 9594

molecule_01_0.dimacsH A D26-Jul-201976.6 KiB5,5405,539

molecule_02_0.dimacsH A D26-Jul-201939 32

molecule_03_0.dimacsH A D26-Jul-2019309 3837

molecule_04_0.dimacsH A D26-Jul-2019414 5049

molecule_05_0.dimacsH A D26-Jul-2019174 2120

molecule_06_0.dimacsH A D26-Jul-2019712 7473

molecule_07_0.dimacsH A D26-Jul-20194.2 KiB350349

molecule_08_0.dimacsH A D26-Jul-20191.1 KiB105104

molecule_09_0.dimacsH A D26-Jul-20191.2 KiB114113

molecule_10_0.dimacsH A D26-Jul-20195.4 KiB452451

molecule_11_0.dimacsH A D26-Jul-20191.6 KiB151150

molecule_12_0.dimacsH A D26-Jul-2019821 8483

molecule_13_0.dimacsH A D26-Jul-2019896 9594

molecule_14_0.dimacsH A D26-Jul-2019650 6665

molecule_15_0.dimacsH A D26-Jul-20191.2 KiB125124

molecule_16_0.dimacsH A D26-Jul-2019369 4140

molecule_17_0.dimacsH A D26-Jul-2019487 5251

molecule_18_0.dimacsH A D26-Jul-20191.2 KiB128127

molecule_19_0.dimacsH A D26-Jul-201915.5 KiB1,2391,238

molecule_20_0.dimacsH A D26-Jul-201930.1 KiB2,5652,564

molecule_21_0.dimacsH A D26-Jul-2019383 4443

molecule_22_0.dimacsH A D26-Jul-20192 KiB210209

molecule_23_0.dimacsH A D26-Jul-2019744 8584

molecule_24_0.dimacsH A D26-Jul-2019982 103102

molecule_25_0.dimacsH A D26-Jul-2019352 3938

README

1These testfiles contain interesting graphs,
2that are challenging and led to errors in the
3past (regression tests).
4
5The files are in a extended DIMACS graph format
6(http://lcs.ios.ac.cn/~caisw/Resource/about_DIMACS_graph_format.txt).
7
8Comment lines start with 'c' and are ignored.
9The first line must be
10p edge <nof_nodes> <nof_edges> <nof_rings>
11
12Then the edges follow as
13e <node1> <node2>
14
15Finally the rings are specified as for each edge (node1, node2)
16r <ring_id> <ring_size> <node1> <node2>
17
18The rings in these files are the relevant cycles calculated
19by NAOMI.
20
21The structures are either simple molecules,
22totally artificial,
23or graph topological abstractions of
24molecules from the PubChem (https://pubchem.ncbi.nlm.nih.gov/)
25(SID and CID given in test files).
26All chemical information (bond type, element)
27was removed.
28