From: <ha...@us...> - 2010-06-01 13:56:58
|
Revision: 13267 http://jmol.svn.sourceforge.net/jmol/?rev=13267&view=rev Author: hansonr Date: 2010-06-01 13:56:52 +0000 (Tue, 01 Jun 2010) Log Message: ----------- Modified Paths: -------------- trunk/Jmol/src/org/jmol/smiles/package.html Modified: trunk/Jmol/src/org/jmol/smiles/package.html =================================================================== --- trunk/Jmol/src/org/jmol/smiles/package.html 2010-06-01 13:55:32 UTC (rev 13266) +++ trunk/Jmol/src/org/jmol/smiles/package.html 2010-06-01 13:56:52 UTC (rev 13267) @@ -270,8 +270,8 @@ # but [Ard2] is [Ar&d2] -- "argon with two non-hydrogen connections" # Also, "!" may not be use with implied "&". # Thus, [!a], [!a&!h2], and [h2&!a] are all valid, but [!ah2] is invalid. - [primitive] == { [isotope] | [atomType] | [atomIndex] | [charge] | [stereochemistry] - | [A_Prop] | [D_Prop] | [H_Prop] | [h_Prop] + [primitive] == { [isotope] | [atomType] | [charge] | [stereochemistry] + | [a_Prop] | [A_Prop] | [D_Prop] | [H_Prop] | [h_Prop] | [R_Prop] | [r_Prop] | [v_Prop] | [X_Prop] | [x_Prop] | [nestedExpression] } [isotope] == [digits] | [digits] "?" @@ -279,7 +279,6 @@ # EXCEPT "H1" which must be parsed as "an atom with a single H" [digits] == { [digit] | [digit] [digits] } [digit] == { "0" | "1" | "2" | "3" | "4" | "5" | "6" | 7" | "8" | "9" } - [atomIndex] == "=" [digits] [charge] == { "-" [digits] | "+" [digits] | [plusSet] | [minusSet] } [plusSet] == { "+" | "+" [plusSet] } [minusSet] == { "-" | "-" [minusSet] } @@ -293,6 +292,7 @@ # note -- "?" here (unspecified) is not relevant in 3D-SEARCH [A_Prop] == "#" [digits] # elemental atomic number + [a_Prop] == "=" [digits] # atom index (starts with 0) [D_Prop] == { "D" [digits] | "D" } # degree -- total number of connections # excludes implicit H atoms; default 1 [d_Prop] == { "d" [digits] | "d" } # degree -- non-hydrogen connections This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |