Revision: 21594
http://sourceforge.net/p/jmol/code/21594
Author: hansonr
Date: 2017-05-14 04:16:16 +0000 (Sun, 14 May 2017)
Log Message:
-----------
CIP - comments
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 2017-05-13 23:47:06 UTC
(rev 21593)
+++ trunk/Jmol/src/org/jmol/symmetry/CIPChirality.java 2017-05-14 04:16:16 UTC
(rev 21594)
@@ -159,18 +159,17 @@
// 3. 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 need not be separately implemented or carried out
"exhaustively". It is
- // more of an implicit guideline only, for naming purposes, I
think.
+ // 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
// 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,
- // 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.
+ // 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
// it is only for the root branches, not anywhere else.
- // 7. Rule 5 Final setting of r vs s is again only for the Sphere-1 root
branches. It has
- // no relevance past that point.
+ // 7. 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.
//
// The algorithm:
@@ -229,7 +228,7 @@
// compareDeeply(a, b) {
// bestScore = Integer.MAX_VALUE
// for (each substituent pairing i in a and b) {
- // bestScore = min(bestScore, breakTie(a_i, b_i)
+ // bestScore = min(bestScore, breakTie(a_i, b_i))
// }
// return bestScore
// }
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