Package org.jmol.symmetry
package org.jmol.symmetry
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ClassDescriptionA 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 holding class for ClegData and ClegNode, which are called by org.jmol.modelkit.Modelkit to process CLEG strings.running data items for assignSpaceGroup iterationBob 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.An interface to receive the decoded matrices from Hall notation.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 static singleton class to create plane, layer, rod, and frieze groupsA 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=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.