Classes

  ClassDescription
Atom
Atom Base Class
Bond
Chemical Bond Class
BondTypeSummary
Structure is used to store all bond type associated to one atom or a set of atoms
ChemicalBase
Chemistry Base Class
Fragment
Chemical fragment Class : Contains links to Atom and Bond of Molecule object
MolAnalysis
Class to computes Formula and element composition
Molecule
Mol class represents a Chemical connectivity table
Molecules
Class to manage a list of Molecule. This object is used by Graphics control rather than Molecule to manage reaction sheme.
MolFragmenter
Class to build a fragments tree used for _coordinates generation: - Each key atom is associated to a collection of fragments - A key atom is a branching atom
Ring
Ring object as atom collection
StructureChecker
Provides static Method to correct chemical definition of Molecule object
SubGroup
Sub Group class is a Molecule extension introduce for compatibility with SGroup properties attached to an MDL structure.
SubGroups
Collection of SubGroup associated to a Molecule object

Enumerations

  EnumerationDescription
Fragment..::.FragmentType
Type of Fragment Default value is None.
Molecule..::.MoleculeType
Type of Molecule Default value is None. Reactant and Product values are used for reaction scheme. Salt is used when salt strip have be done a single Molecule have be convert into a Molecules.
SubGroup..::.SubGroupConnectivity
Sub Group Connectivity enumeration
SubGroup..::.SubGroupSubType
Sub Group - Sub Type enumeration
SubGroup..::.SubGroupType
SubGroup Type enumeration