| 6 |
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* redistribute this software in source and binary code form, provided |
| 7 |
|
* that the following conditions are met: |
| 8 |
|
* |
| 9 |
< |
* 1. Acknowledgement of the program authors must be made in any |
| 10 |
< |
* publication of scientific results based in part on use of the |
| 11 |
< |
* program. An acceptable form of acknowledgement is citation of |
| 12 |
< |
* the article in which the program was described (Matthew |
| 13 |
< |
* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
| 14 |
< |
* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
| 15 |
< |
* Parallel Simulation Engine for Molecular Dynamics," |
| 16 |
< |
* J. Comput. Chem. 26, pp. 252-271 (2005)) |
| 17 |
< |
* |
| 18 |
< |
* 2. Redistributions of source code must retain the above copyright |
| 9 |
> |
* 1. Redistributions of source code must retain the above copyright |
| 10 |
|
* notice, this list of conditions and the following disclaimer. |
| 11 |
|
* |
| 12 |
< |
* 3. Redistributions in binary form must reproduce the above copyright |
| 12 |
> |
* 2. Redistributions in binary form must reproduce the above copyright |
| 13 |
|
* notice, this list of conditions and the following disclaimer in the |
| 14 |
|
* documentation and/or other materials provided with the |
| 15 |
|
* distribution. |
| 28 |
|
* arising out of the use of or inability to use software, even if the |
| 29 |
|
* University of Notre Dame has been advised of the possibility of |
| 30 |
|
* such damages. |
| 31 |
+ |
* |
| 32 |
+ |
* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
| 33 |
+ |
* research, please cite the appropriate papers when you publish your |
| 34 |
+ |
* work. Good starting points are: |
| 35 |
+ |
* |
| 36 |
+ |
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
+ |
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
+ |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 39 |
+ |
* [4] Vardeman & Gezelter, in progress (2009). |
| 40 |
|
*/ |
| 41 |
|
|
| 42 |
|
#ifndef SELECTION_TOKEN_HPP |
| 47 |
|
#include <utility> |
| 48 |
|
#include "utils/any.hpp" |
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|
|
| 50 |
< |
namespace oopse { |
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> |
namespace OpenMD { |
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|
|
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|
|
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|
/** |
| 130 |
|
// atom expression operators |
| 131 |
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const static int leftparen = expression | 0; |
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const static int rightparen = expression | 1; |
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< |
const static int to = expression | 2; |
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> |
const static int to = expression | 2; |
| 134 |
|
const static int opAnd = expression | 3; |
| 135 |
|
const static int opOr = expression | 4; |
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|
const static int opNot = expression | 5; |
| 138 |
|
const static int asterisk = expression | 7; |
| 139 |
|
const static int dot = expression | 8; |
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|
const static int all = expression | 9 ; |
| 141 |
< |
const static int none = expression | 10; |
| 142 |
< |
const static int name = expression | 11; |
| 141 |
> |
const static int none = expression | 10; |
| 142 |
> |
const static int name = expression | 11; |
| 143 |
> |
const static int hull = expression | dynamic | 12; |
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|
// miguel 2005 01 01 |
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|
// these are used to demark the beginning and end of expressions |
| 146 |
|
// they do not exist in the source code, but are emitted by the |
| 150 |
|
|
| 151 |
|
const static int mass = atomproperty | 0; |
| 152 |
|
const static int charge = atomproperty | 1; |
| 153 |
+ |
const static int x = atomproperty | dynamic | 2; |
| 154 |
+ |
const static int y = atomproperty | dynamic | 3; |
| 155 |
+ |
const static int z = atomproperty | dynamic | 4; |
| 156 |
|
|
| 157 |
|
const static int opGT = comparator | 0; |
| 158 |
|
const static int opGE = comparator | 1; |
