Basic System (#31)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#31
This commit is contained in:
2025-07-23 06:47:07 +12:00
parent 49e02ed97d
commit df896878f1
75 changed files with 3821 additions and 1429 deletions

View File

@ -228,6 +228,14 @@ class FormatConverter(object):
#
# return list(res)
@staticmethod
def is_valid_smirks(smirks: str) -> bool:
try:
rdChemReactions.ReactionFromSmarts(smirks)
return True
except:
return False
@staticmethod
def apply(smiles: str, smirks: str, preprocess_smiles: bool = True, bracketize: bool = False,
standardize: bool = True, kekulize: bool = True) -> List['ProductSet']: