Normalization Class

Normalization Class defines rules to normalize molecules

Inheritance Hierarchy

SystemObject
Scilligence.MolEngineNormalization

Namespace: Scilligence.MolEngine
Assembly: Scilligence.MolEngine (in Scilligence.MolEngine.dll) Version: 1.3.0.0 (7.0.0.39951)

Syntax

public class Normalization

The Normalization type exposes the following members.

Constructors

	Name	Description
	Normalization	Construct a Normalization object with default configuration

Methods

	Name	Description
	ClearFlags	Set all rules to false
	CorrectNitroGroup
	Equals	Determines whether the specified Object is equal to the current Object. (Inherited from Object.)
	Finalize	Allows an object to try to free resources and perform other cleanup operations before it is reclaimed by garbage collection. (Inherited from Object.)
	GetHashCode	Serves as a hash function for a particular type. (Inherited from Object.)
	GetType	Gets the Type of the current instance. (Inherited from Object.)
	MemberwiseClone	Creates a shallow copy of the current Object. (Inherited from Object.)
	Process	Process a molecule or reaction using defined rules
	ToString	Returns a string that represents the current object. (Inherited from Object.)

Fields

	Name	Description
	Aromatization	Aromztize
	BreakMetalBonds	Break metal bonds
	CanonicalizeTautomer	Canonicalize tautomer
	Cleanup	Clean up the structure
	Dekekulize	Dekekulize
	EnhanceStereoChemistry
	Kekulize	Kekulize
	kRemoveIsotopes
	Neutralization	Neutrialize atom charges
	RemoveIsotopes
	RemovingHydrogens	Remove hydrogen atoms
	RxnRemoveDuplicated	Remove duplicated reactant/product molecules
	RxnSplitFragments	Split reactant/product molecules into single-fragment molecules
	SaltStripping	Strip salts and solvantes