#107 Chirality Information Not Added

[Martin Gütlein]

String smirks = "[c:1]1c:6c:5[c:4][c:3][c:2]1>>#8-[#6@H:5]-1-[#6:4]=[#6:3]-[#6:2]=[#6:1]-[#6@H:6]-1-#8";
String smi = "Clc1ccccc1";
String expectedSmiles = "C1=CC@HO)O";

[Nikolay Kochev]

There was a bug which is fixed --> Revision: 7934 http://sourceforge.net/p/ambit/code/7934

Also the SMIRKS is not correct. The product H neighbour of the chiral atoms are defined implicitely while on the reactant side these H atoms are explicit.
The correct SMIRKS should define the H atoms on both sides to be explicit.

This is a correct version of the SMIRKS

[c:1]1[c:6]([H])[c:5]([H])[c:4][c:3][c:2]1>>[#8]([H])-[#6@:5]([H])-1-[#6:4]=[#6:3]-[#6:2]=[#6:1]-[#6@:6]([H])-1-[#8]([H])