Package chemaxon.struc
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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ClassDescriptionClass for storing atom property enumerations.Enumeration of the supported radicals.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.This class is the atom index based representation which can be assigned to 'endo', 'exo', 'syn', 'anti' ligands of bicyclo[x.y.z]alkanes in case of 0 dimension molecules.General chemical bond types.Cahn-Ingold-Prelog (CIP) stereodescriptor interface.3D transformation matrix.Point in three dimensional space.Hybridization state constants.Marvin document.Provides informations for Structure Checker higlightPaintable object.Atom object and the properties of the elements.Chemical bond.Molecule class.A graph consisting of MolAtom nodes and MolBond edges.Deprecated, for removal: This API element is subject to removal in a future version.Point object.Property base class.Property container.Selection document.Interface for 3D transformable classes.This class represents NoStructure labels.Page Settings of multipage molecular documents.Periodic System of the Elements.Chemical bond.A molecule or reaction containing R-groups.Identifies an R-group bridge position by storing a pair of R-group IDs.Reaction.A selection object which can contain atoms and bonds without real parent relationship (the real parent of atoms and bonds is another MoleculeGraph ancestor).Structural group representation in the molecule.Enum of possible sgroup types.Array-based molecule interface.Stereo active molecule part with stereo active atom index and its ligands which takes part in the stereo description.Constants for atom parity and double bond stereo.
MoleculeGraph.setValenceCheckOptions(ValenceCheckOptions)andValenceCheckOptions.