UnixJunkie / molenc

MolEnc: a molecular encoder using rdkit and OCaml.

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bug in fragmentable_mol.ml

UnixJunkie opened this issue · comments

Fatal error: exception Failure("Fragmentable_mol.rand_select_anchor: no compatible anchor for 0,6,2,0 48 0,6,2,0 in D09885_f01")
Raised at file "stdlib.ml", line 29, characters 17-33
Called from file "src/batList.mlv", line 598, characters 26-35
Called from file "src/batList.mlv", line 602, characters 2-18
Called from file "src/fragmentable_mol.ml", line 491, characters 8-73
Called from file "list.ml", line 121, characters 24-34
Called from file "list.ml", line 121, characters 24-34
Called from file "list.ml", line 121, characters 24-34
Called from file "src/fragmentable_mol.ml", line 501, characters 40-59
Called from file "src/fragmentable_mol.ml", line 620, characters 26-80
Called from file "src/utls.ml", line 550, characters 12-16
Called from file "src/fragmentable_mol.ml", line 617, characters 10-284
Called from file "src/utls.ml", line 43, characters 12-20
Called from file "src/fragmentable_mol.ml", line 627, characters 9-16

was corrected