Revision: 21596
http://sourceforge.net/p/jmol/code/21596
Author: hansonr
Date: 2017-05-14 12:01:39 +0000 (Sun, 14 May 2017)
Log Message:
-----------
final CIP clean-up and documentation; 958 lines
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/symmetry/CIPChirality.java
Modified: trunk/Jmol/src/org/jmol/symmetry/CIPChirality.java
===================================================================
--- trunk/Jmol/src/org/jmol/symmetry/CIPChirality.java 2017-05-14 11:59:57 UTC
(rev 21595)
+++ trunk/Jmol/src/org/jmol/symmetry/CIPChirality.java 2017-05-14 12:01:39 UTC
(rev 21596)
@@ -169,19 +169,20 @@
// rule may only be applied AFTER Rule 1a has been applied
exhaustively. In
// my mind it deserves its own number for this reason. See
AY-236.53,
// (1S,5R)-bicyclo[3.1.0]hex-2-ene, for example.
- // 3. Rule 3 requires the concept of "auxiliary" (temporary,
digraph-specific) descriptors.
+ // 3. Rule 2 This rule is simple to implement; must be executed only for
ties from 1a and 1b.
+ // 4. Rule 3 requires the concept of "auxiliary" (temporary,
digraph-specific) descriptors.
// This concept of auxiliary descriptors is the key to not having
an analysis
// blow up or somehow require complex, impossible iteration.
- // 4. Rule 4a needs to be addressed exhaustively prior to Rules 4b and 4c.
- // 5. Rule 4b Somehow missed in the discussion is that the reference
descriptor is determined
+ // 5. Rule 4a needs to be addressed exhaustively prior to Rules 4b and 4c.
+ // 6. Rule 4b Somehow missed in the discussion is that the reference
descriptor is determined
// once and only once for each branch from the center under
scrutiny. All Rules
// preceding Rule 4 can be applied to iterated subsections of a
digraph. Not this one,
// nor Rule 5, though. The key is to determine one single "Mata
sequence" of R and S descriptors
// for each pair of branches being considered. This same
reference carries through all
// future iterations of the algorithm for that branch.
- // 6. Rule 4c Again, this rule must be invoked only after Rule 4b is
completely set, and again
+ // 7. Rule 4c Again, this rule must be invoked only after Rule 4b is
completely set, and again
// it is only for the root branches, not anywhere else.
- // 7. Rule 5 Final setting pseudoasymmetry (r/s, m/p) can be done along the
same line as Rule 4b,
+ // 8. Rule 5 Final setting pseudoasymmetry (r/s, m/p) can be done along the
same line as Rule 4b,
// but with slightly different sorting criteria.
//
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