Classes
| Class | Description | |
|---|---|---|
| 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 | ||
| 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
| Enumeration | Description | |
|---|---|---|
| Fragment..::.FragmentType |
Type of Fragment
Default value is None.
| |
| Molecule..::.MoleculeType | ||
| SubGroup..::.SubGroupConnectivity |
Sub Group Connectivity enumeration
| |
| SubGroup..::.SubGroupSubType |
Sub Group - Sub Type enumeration
| |
| SubGroup..::.SubGroupType |
SubGroup Type enumeration
|