Package chemaxon.struc
Provides classes for implementing and manipulating chemical structures.
Serialization of these classes is `standardized' in Marvin 5.3. All future versions of them are planned to remain backward compatible with older versions serialized in 5.3 or later; the serialVersionUID's will not change.
Serialization of these classes is `standardized' in Marvin 5.3. All future versions of them are planned to remain backward compatible with older versions serialized in 5.3 or later; the serialVersionUID's will not change.
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Interface Summary Interface Description CIPStereoDescriptorIface Cahn-Ingold-Prelog (CIP) stereodescriptor interface.CIPStereoDescriptorIface.CIPValue HybridizationStateConsts Hybridization state constants.Incomplecule Ancestor of molecule classes and interfaces.MTransformable Interface for 3D transformable classes.Smolecule Array-based abstract molecule class.StereoConstants Constants for atom parity and double bond stereo.WSmolecule Writable abstract molecule class. -
Class Summary Class Description AtomProperty Class for storing atom property enumerations.AtropStereoDescriptor Descriptor representing atrop stereo information, the rotation of two aromatic rings connected by a single bond (axis), and at least 3 of the ligands in the ring connected to the axis has a non-ring ligand.CIPStereoDescriptorIface.CIPValue.AtropStereoValue.ODDmeans that if we watch the molecule in the direction of the axis, and the ligand with the maximum index from the ligand connected to the axis is in the back, then from the higher indexed of the two ligands in the front the higher indexed in the back is clockwise.CIPStereoDescriptorIface.CIPValue.AtropStereoValue.EVENmeans that if we watch the molecule in the direction of the axis, and the ligand with the maximum index from the ligand connected to the axis is in the back, then from the higher indexed of the two ligands in the front the higher indexed in the back is counter-clockwise.CIPStereoDescriptorIface.CIPValue.AtropStereoValue.UNKNOWNmeans that it can not be decided if it is clockwise or counter-clockwise, but there is no wiggly bond - like a 2D structure without wedge information..CIPStereoDescriptorIface.CIPValue.AtropStereoValue.WIGGLYmeans that there is a wiggly bond on either ligand in the ring connected to the axis, or the axis is wiggly.AxialStereoDescriptor CisTransStereoDescriptor CTransform3D 3D transformation matrix.DPoint3 Point in three dimensional space.MDocument Marvin document.MDocument.CheckerMark Provides informations for Structure Checker higlightMObject Paintable object.MolAtom Atom object and the properties of the elements.MolBond Chemical bond.Molecule Molecule class.MoleculeGraph A graph consisting of MolAtom nodes and MolBond edges.MPoint Point object.MProp Property base class.MPropertyContainer Property container.MSelectionDocument Selection document.NoStructure This class represents NoStructure labels.PeriodicSystem Periodic System of the Elements.QueryBond Chemical bond.RgMolecule A molecule or reaction containing R-groups.RxnMolecule Reaction.SelectionMolecule A selection object which can contain atoms and bonds without real parent relationship (the real parent of atoms and bonds is another MoleculeGraph ancestor).Sgroup Structural group representation in the molecule.StereoActivePart Stereo active molecule part with stereo active atom index and its ligands which takes part in the stereo description.TetrahedralStereoDescriptor -
Enum Summary Enum Description AtomProperty.Radical Enumeration of the supported radicals.CIPStereoDescriptorIface.CIPType CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue CIPStereoDescriptorIface.CIPValue.AtropStereoValue CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue CIPStereoDescriptorIface.CIPValue.AxialStereoValue CIPStereoDescriptorIface.CIPValue.CisTransStereoIUPACValue CIPStereoDescriptorIface.CIPValue.CisTransStereoValue CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue CIPStereoDescriptorIface.CIPValue.TetrahedralStereoValue MoleculeGraph.ValenceCheckState Deprecated. As of Marvin 6.0, replaced byMoleculeGraph.setValenceCheckOptions(ValenceCheckOptions)andValenceCheckOptions.SgroupType Enum of possible sgroup types.