--- trunk/src/selection/SelectionToken.hpp 2012/10/01 18:21:15 1801 +++ trunk/src/selection/SelectionToken.hpp 2013/08/19 19:20:32 1931 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -122,8 +122,8 @@ namespace OpenMD { const static int embeddedExpression= (1 << 19); // embedded expression const static int index = (1 << 20) | expression; // rasmol commands - const static int define = command | expressionCommand |1; - const static int select = command |expressionCommand |2 ; + const static int define = command | expressionCommand | 1; + const static int select = command | expressionCommand | 2 ; //predefine //const static int selected = predefinedset |0; @@ -151,11 +151,14 @@ namespace OpenMD { const static int expressionEnd = expression | 101; const static int mass = atomproperty | 0; - const static int charge = atomproperty | 1; + const static int charge = atomproperty | dynamic | 1; const static int x = atomproperty | dynamic | 2; const static int y = atomproperty | dynamic | 3; const static int z = atomproperty | dynamic | 4; const static int r = atomproperty | dynamic | 5; + const static int wrappedX = atomproperty | dynamic | 6; + const static int wrappedY = atomproperty | dynamic | 7; + const static int wrappedZ = atomproperty | dynamic | 8; const static int opGT = comparator | dynamic | 0; const static int opGE = comparator | dynamic | 1;