122 |
|
const static int embeddedExpression= (1 << 19); // embedded expression |
123 |
|
const static int index = (1 << 20) | expression; |
124 |
|
// rasmol commands |
125 |
< |
const static int define = command | expressionCommand |1; |
126 |
< |
const static int select = command |expressionCommand |2 ; |
125 |
> |
const static int define = command | expressionCommand | 1; |
126 |
> |
const static int select = command | expressionCommand | 2 ; |
127 |
|
|
128 |
|
//predefine |
129 |
|
//const static int selected = predefinedset |0; |
151 |
|
const static int expressionEnd = expression | 101; |
152 |
|
|
153 |
|
const static int mass = atomproperty | 0; |
154 |
< |
const static int charge = atomproperty | 1; |
154 |
> |
const static int charge = atomproperty | dynamic | 1; |
155 |
|
const static int x = atomproperty | dynamic | 2; |
156 |
|
const static int y = atomproperty | dynamic | 3; |
157 |
|
const static int z = atomproperty | dynamic | 4; |