From: <ha...@us...> - 2010-05-10 20:18:58
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Revision: 13056 http://jmol.svn.sourceforge.net/jmol/?rev=13056&view=rev Author: hansonr Date: 2010-05-10 20:18:49 +0000 (Mon, 10 May 2010) Log Message: ----------- Modified Paths: -------------- trunk/Jmol/src/org/jmol/smiles/SmilesParser.java Modified: trunk/Jmol/src/org/jmol/smiles/SmilesParser.java =================================================================== --- trunk/Jmol/src/org/jmol/smiles/SmilesParser.java 2010-05-10 20:10:08 UTC (rev 13055) +++ trunk/Jmol/src/org/jmol/smiles/SmilesParser.java 2010-05-10 20:18:49 UTC (rev 13056) @@ -63,10 +63,13 @@ * see org.jmol.smiles.SmilesAromatic.java * * -- nesting ("recursive" SEARCH") implemented: using [C&$(C[$(aaaO);$(aaC)])] + * note that $(...) need not be within [...] and + * wherever it is, it means "just the first atom" * * -- all atom logic implemented: [X,!X,X&X,X&X&X;X&X] etc. * - * -- "&" is completely optional: [13CH2] same as [13&C&H2] + * -- "&" is optional: [13CH2] same as [13&C&H2] + * except in cases of ambiguity with element symbols: [Rh] is rhodium, not [R&h] * * -- allows any order of primitives; "H1" interpreted as "one H atom" * [H2C13] same as [13CH2] @@ -87,6 +90,11 @@ * * -- does NOT implement "?" for bond stereochemistry, as 3D structures * always defined stereochemically + * + * -- The statement "All atomic expressions which are not simple primitives must be enclosed in brackets" + * is misleading, in the sense that some primitives, even if they are simple, must also + * be in brackets. Primitives such as "35" or "H2" or "R2" must be within brackets in order to + * distinguish them from ring connections. * * [smarts] == [node][connections] * [connections] == [connection] | NULL } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |