| 1 |  | /* | 
| 2 | < | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 2 | > | * Copyright (c) 2009 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 | 
| 50 |  | #include <iostream> | 
| 51 |  | #include <fstream> | 
| 52 |  | #include <string> | 
| 53 | + | #include <map> | 
| 54 | + | #include <vector> | 
| 55 |  |  | 
| 56 |  | #include "brains/SimInfo.hpp" | 
| 57 | + | #include "restraints/Restraint.hpp" | 
| 58 |  |  | 
| 56 | – | #ifdef IS_MPI | 
| 57 | – | #include <mpi.h> | 
| 58 | – | #endif | 
| 59 | – |  | 
| 59 |  | namespace oopse { | 
| 60 |  |  | 
| 61 |  | class RestWriter{ | 
| 62 |  |  | 
| 63 |  | public: | 
| 64 | < | RestWriter( SimInfo* info ); | 
| 64 | > | RestWriter(SimInfo* info, const std::string& filename, std::vector<Restraint*> restraints); | 
| 65 |  | ~RestWriter(); | 
| 66 | + |  | 
| 67 | + | void writeRest(std::vector<std::map<int, Restraint::RealPair> > restInfo); | 
| 68 |  |  | 
| 69 | < | void writeZangle(); | 
| 69 | < |  | 
| 70 | < | private: | 
| 71 | < |  | 
| 69 | > | private: | 
| 70 |  | SimInfo* info_; | 
| 71 | < | std::string outName; | 
| 74 | < |  | 
| 71 | > | std::ofstream output_; | 
| 72 |  | }; | 
| 73 |  |  | 
| 74 |  | } |