Package org.jmol.symmetry
package org.jmol.symmetry
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ClassesClassDescriptionA fully validated relatively efficient implementation of Cahn-Ingold-Prelog rules for assigning R/S, M/P, and E/Z stereochemical descriptors.A helper class to handle application-specific analysis and store information needed by CIPChirality and CIPDataSmiles.A subclass that allows Jmol processing of SMILES using "...smiles...".find("SMILES","chirality")An optional class to track digraph paths to decisions.A general class to deal with Hermann-Mauguin or Hall names Bob Hanson 9/2006 references: International Tables for Crystallography Vol.A relatively simple space group finder given a unit cell.A class to handle requests for information about space groups and symmetry operations.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.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=146&what=wpos&trmat=2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c&unconv=R%203%20:R&from=ita For the 611 standard setting in ITA GENPOS, we are just reading the json file and loading its information.