Exemplo n.º 1
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 public static MolSanitizeException_Vect DetectChemistryProblems(ROMol mol, SanitizeFlags sanitizeOps = SanitizeFlags.SANITIZE_ALL)
 {
     return(RDKFuncs.detectChemistryProblems(mol, (int)sanitizeOps));
 }
Exemplo n.º 2
0
 public static SanitizeFlags SanitizeMol(RWMol mol, SanitizeFlags sanitizeOps = SanitizeFlags.SANITIZE_ALL)
 {
     return((SanitizeFlags)RDKFuncs.sanitizeMol(mol, (int)sanitizeOps));
 }