# Package org.jmol.symmetry

package org.jmol.symmetry

Class
Description
CIPChirality
A fully validated relatively efficient implementation of Cahn-Ingold-Prelog rules for assigning R/S, M/P, and E/Z stereochemical descriptors.
CIPData
A helper class to handle application-specific analysis and store information needed by CIPChirality and CIPDataSmiles.
CIPDataSmiles
A subclass that allows Jmol processing of SMILES using "...smiles...".find("SMILES","chirality")
CIPDataTracker
An optional class to track digraph paths to decisions.
CLEG
A holding class for ClegData and ClegNode, which are called by org.jmol.modelkit.Modelkit to process CLEG strings.
CLEG.ClegData
running data items for assignSpaceGroup iteration
CLEG.ClegNode
HallInfo
Bob Hanson 9/2006 This class could be easily adapted for other use by implementing something like M4 (4x4 matrix), P3i (integer point), and SB (stringBuilder) references: International Tables for Crystallography Vol.
HallInfo.HallReceiver
An interface to receive the decoded matrices from Hall notation.
SpaceGroup
A general class to deal with Hermann-Mauguin or Hall names Bob Hanson 9/2006 references: International Tables for Crystallography Vol.
SpaceGroup.ParamCheck
SpaceGroupFinder
A relatively simple space group finder given a unit cell.
SpecialGroup
SpecialGroupFactory
A static singleton class to create plane, layer, rod, and frieze groups
Symmetry
SymmetryDesc
A class to handle requests for information about space groups and symmetry operations.
SymmetryOperation
UnitCell
a class pseudoprivate to the org.jmol.symmetry and org.jmol.applet.smarter.FileSymmetry to be accessed generally only through the SymmetryInterface API adds vertices and offsets orientation, and a variety of additional calculations that in principle could be put in SimpleUnitCell if desired, but for now are in this optional package.
UnitCellIterator
WyckoffFinder
A class to calculate, store, and retrieve Wyckoff information as per BCS nph-trgen at https://www.cryst.ehu.es/cgi-bin/cryst/programs//nph-trgen?gnum=146invalid input: '&what'=wposinvalid input: '&trmat'=2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3cinvalid input: '&unconv'=R%203%20:Rinvalid input: '&from'=ita For the 611 standard setting in ITA GENPOS, we are just reading the json file and loading its information.