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Backmerge: #2312 - Export of ambiguous monomers doesn't work (error a…
…ppears) to any export format (even to SVG/PNG) except KET (#2530)
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api/tests/integration/ref/formats/ket_ambiguous_export.py.out
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Test mol v2000 | ||
molecule: Ambiguous monomer cannot be transform to SGroup. | ||
Test mol v3000 | ||
molfile saver: Ambiguous monomer cannot be saved to molfile. | ||
Test cdxml | ||
molecule: Ambiguous monomer cannot be transform to SGroup. | ||
Test cml | ||
molecule: Ambiguous monomer cannot be transform to SGroup. | ||
Test smiles | ||
* |
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api/tests/integration/tests/formats/ket_ambiguous_export.py
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import difflib | ||
import os | ||
import sys | ||
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def find_diff(a, b): | ||
return "\n".join(difflib.unified_diff(a.splitlines(), b.splitlines())) | ||
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sys.path.append( | ||
os.path.normpath( | ||
os.path.join(os.path.abspath(__file__), "..", "..", "..", "common") | ||
) | ||
) | ||
from env_indigo import ( # noqa | ||
Indigo, | ||
IndigoException, | ||
getIndigoExceptionText, | ||
joinPathPy, | ||
) | ||
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indigo = Indigo() | ||
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root = joinPathPy("molecules/macro/", __file__) | ||
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mol = indigo.loadMoleculeFromFile(os.path.join(root, "ambiguous.ket")) | ||
print("Test mol v2000") | ||
try: | ||
indigo.setOption("molfile-saving-mode", "2000") | ||
print(mol.molfile()) | ||
except IndigoException as e: | ||
print(getIndigoExceptionText(e)) | ||
print("Test mol v3000") | ||
try: | ||
indigo.setOption("molfile-saving-mode", "3000") | ||
print(mol.molfile()) | ||
except IndigoException as e: | ||
print(getIndigoExceptionText(e)) | ||
print("Test cdxml") | ||
try: | ||
print(mol.cdxml()) | ||
except IndigoException as e: | ||
print(getIndigoExceptionText(e)) | ||
print("Test cml") | ||
try: | ||
print(mol.cml()) | ||
except IndigoException as e: | ||
print(getIndigoExceptionText(e)) | ||
print("Test smiles") | ||
try: | ||
print(mol.smiles()) | ||
except IndigoException as e: | ||
print(getIndigoExceptionText(e)) |
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