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drop tucan support
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Kevin Maik Jablonka committed Oct 4, 2023
1 parent 58ab60d commit b125ffe
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Showing 2 changed files with 0 additions and 6 deletions.
1 change: 0 additions & 1 deletion setup.cfg
Original file line number Diff line number Diff line change
Expand Up @@ -102,7 +102,6 @@ eval =
diskcache
reprs =
deepsmiles
tucan @ git+https://github.com/TUCAN-nest/TUCAN.git

######################
# Doc8 Configuration #
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5 changes: 0 additions & 5 deletions tests/test_representation.py
Original file line number Diff line number Diff line change
@@ -1,6 +1,5 @@
from gptchem.representation import (
smiles_to_inchi,
smiles_to_tucan,
smiles_to_iupac_name,
line_reps_from_smiles,
smiles_to_max_random,
Expand All @@ -13,10 +12,6 @@ def test_smiles_to_inchi():
assert smiles_to_inchi("CCO") == "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"


def test_smiles_to_tucan():
assert smiles_to_tucan("CCO") == "C2O/(1-2)(2-3)"


def test_smiles_to_iupac_name():
assert smiles_to_iupac_name("CCO") == "ethanol"

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