| 1 |
< |
#ifndef _ZCONS_VISITOR_H_ |
| 2 |
< |
#define _ZCONS_VISITOR_H_ |
| 1 |
> |
/* |
| 2 |
> |
* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
| 3 |
> |
* |
| 4 |
> |
* The University of Notre Dame grants you ("Licensee") a |
| 5 |
> |
* non-exclusive, royalty free, license to use, modify and |
| 6 |
> |
* 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 |
| 19 |
> |
* notice, this list of conditions and the following disclaimer. |
| 20 |
> |
* |
| 21 |
> |
* 3. Redistributions in binary form must reproduce the above copyright |
| 22 |
> |
* notice, this list of conditions and the following disclaimer in the |
| 23 |
> |
* documentation and/or other materials provided with the |
| 24 |
> |
* distribution. |
| 25 |
> |
* |
| 26 |
> |
* This software is provided "AS IS," without a warranty of any |
| 27 |
> |
* kind. All express or implied conditions, representations and |
| 28 |
> |
* warranties, including any implied warranty of merchantability, |
| 29 |
> |
* fitness for a particular purpose or non-infringement, are hereby |
| 30 |
> |
* excluded. The University of Notre Dame and its licensors shall not |
| 31 |
> |
* be liable for any damages suffered by licensee as a result of |
| 32 |
> |
* using, modifying or distributing the software or its |
| 33 |
> |
* derivatives. In no event will the University of Notre Dame or its |
| 34 |
> |
* licensors be liable for any lost revenue, profit or data, or for |
| 35 |
> |
* direct, indirect, special, consequential, incidental or punitive |
| 36 |
> |
* damages, however caused and regardless of the theory of liability, |
| 37 |
> |
* arising out of the use of or inability to use software, even if the |
| 38 |
> |
* University of Notre Dame has been advised of the possibility of |
| 39 |
> |
* such damages. |
| 40 |
> |
*/ |
| 41 |
> |
|
| 42 |
> |
#ifndef VISITORS_ZCONSVISITOR_HPP |
| 43 |
> |
#define VISITORS_ZCONSVISITOR_HPP |
| 44 |
|
|
| 4 |
– |
#include "visitors/BaseVisitor.hpp" |
| 45 |
|
#include "io/ZConsReader.hpp" |
| 46 |
+ |
#include "primitives/RigidBody.hpp" |
| 47 |
+ |
#include "visitors/BaseVisitor.hpp" |
| 48 |
|
#include "visitors/AtomData.hpp" |
| 49 |
< |
#include "constraints/ZconsData.hpp" |
| 50 |
< |
enum ZConsState{zsFixed, zsMoving}; |
| 49 |
> |
|
| 50 |
> |
|
| 51 |
> |
|
| 52 |
|
namespace oopse { |
| 53 |
< |
|
| 53 |
> |
|
| 54 |
> |
/** |
| 55 |
> |
* @class ZConsVisitor |
| 56 |
> |
* @note |
| 57 |
> |
*/ |
| 58 |
|
class ZConsVisitor : public BaseVisitor{ |
| 59 |
< |
public: |
| 59 |
> |
public: |
| 60 |
> |
enum ZConsState{zsFixed = 0, zsMoving}; |
| 61 |
|
|
| 62 |
< |
|
| 63 |
< |
ZConsVisitor(SimInfo* info); |
| 16 |
< |
~ZConsVisitor(); |
| 17 |
< |
|
| 18 |
< |
virtual void visit(Atom* atom); |
| 19 |
< |
virtual void visit(DirectionalAtom* datom); |
| 20 |
< |
virtual void visit(RigidBody* rb); |
| 21 |
< |
|
| 22 |
< |
virtual void update(); |
| 23 |
< |
|
| 24 |
< |
bool haveZconsMol() {return haveZcons;} |
| 62 |
> |
ZConsVisitor(SimInfo* info); |
| 63 |
> |
~ZConsVisitor(); |
| 64 |
|
|
| 65 |
< |
virtual const string toString(); |
| 66 |
< |
protected: |
| 67 |
< |
void internalVisit(StuntDouble* sd, const string& prefix); |
| 68 |
< |
bool isZconstraint(int index, string& prefix); |
| 69 |
< |
Molecule* findZconsMol(int index); |
| 70 |
< |
void getZconsPos(double time); |
| 71 |
< |
|
| 72 |
< |
private: |
| 73 |
< |
vector<Molecule*> zconsMol; |
| 74 |
< |
vector<double> zconsPos; |
| 75 |
< |
map<int, ZConsState> zconsState; |
| 76 |
< |
bool haveZcons; |
| 77 |
< |
double zconsTol; |
| 78 |
< |
double zconsTime; |
| 79 |
< |
string zconsFilename; |
| 80 |
< |
ZConsReader* zconsReader; |
| 81 |
< |
SimInfo* info; |
| 65 |
> |
virtual void visit(Atom* atom); |
| 66 |
> |
virtual void visit(DirectionalAtom* datom); |
| 67 |
> |
virtual void visit(RigidBody* rb); |
| 68 |
> |
|
| 69 |
> |
virtual void update(); |
| 70 |
> |
|
| 71 |
> |
bool haveZconsMol() {return !zmolStates_.empty(); } |
| 72 |
> |
|
| 73 |
> |
virtual const std::string toString(); |
| 74 |
> |
protected: |
| 75 |
> |
void internalVisit(StuntDouble* sd, const std::string& prefix); |
| 76 |
> |
bool isZconstraint(int index, std::string& prefix); |
| 77 |
> |
void readZconsFile(double time); |
| 78 |
> |
|
| 79 |
> |
private: |
| 80 |
> |
std::vector<double> zconsPos; |
| 81 |
> |
std::map<int, ZConsState> zmolStates_; |
| 82 |
> |
double zconsTol_; |
| 83 |
> |
double zconsTime_; |
| 84 |
> |
std::string zconsFilename_; |
| 85 |
> |
ZConsReader* zconsReader_; |
| 86 |
> |
SimInfo* info_; |
| 87 |
> |
Snapshot* currSnapshot_; |
| 88 |
> |
std::map<int, int> zatomToZmol_; |
| 89 |
|
}; |
| 90 |
|
|
| 91 |
|
}//namespace oopse |
