Package chemaxon.checkers
Class StructureCheckerUtility
java.lang.Object
chemaxon.checkers.StructureCheckerUtility
Utility to handle core features
- Since:
- 5.12
-
Constructor Summary
-
Method Summary
Modifier and TypeMethodDescriptiongetComponents
(Molecule molecule) A recursive algorithm collecting all components (reactants, agents and products of reaction molecules, R-group definitions of Rg-Molecules) of the molecule.static boolean
isRealAtom
(MolAtom atom) Gets whether the provided atom represents an atom (and not something that should not be an atom)static boolean
isSpecialAtom
(MolAtom atom) Gets whether the provided atom is special
-
Constructor Details
-
StructureCheckerUtility
public StructureCheckerUtility()
-
-
Method Details
-
isRealAtom
Gets whether the provided atom represents an atom (and not something that should not be an atom)- Parameters:
atom
- the provided atom- Returns:
- true if not multi-center atom, lone pair or R-group-attachment
-
isSpecialAtom
Gets whether the provided atom is special- Parameters:
atom
- the atom to be checked- Returns:
- whether the provided atom is special (true if S-group atom, multicenter, R-atom, R-group-attachment, Any atom or Star Atom)
-
getComponents
A recursive algorithm collecting all components (reactants, agents and products of reaction molecules, R-group definitions of Rg-Molecules) of the molecule.- Parameters:
molecule
- the target molecule- Returns:
- the resulted list of components
-