| 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). | 
| 39 | > | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | > | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 |  | */ | 
| 42 |  |  | 
| 42 | – |  | 
| 43 | – | /** | 
| 44 | – | * @file StatWriter.hpp | 
| 45 | – | * @author tlin | 
| 46 | – | * @date 11/08/2004 | 
| 47 | – | * @time 10:03am | 
| 48 | – | * @version 1.0 | 
| 49 | – | */ | 
| 50 | – |  | 
| 51 | – |  | 
| 43 |  | #ifndef IO_STATWRITER_HPP | 
| 44 |  | #define IO_STATWRITER_HPP | 
| 54 | – | #include <bitset> | 
| 55 | – | #include <fstream> | 
| 56 | – | #include <iostream> | 
| 57 | – | #include <string> | 
| 58 | – | #include <string.h> | 
| 45 |  |  | 
| 46 |  | #include "brains/Stats.hpp" | 
| 47 |  | #include "utils/StringTokenizer.hpp" | 
| 49 |  | #include "utils/simError.h" | 
| 50 |  |  | 
| 51 |  | namespace OpenMD { | 
| 66 | – |  | 
| 67 | – | typedef std::bitset<Stats::ENDINDEX-Stats::BEGININDEX> StatsBitSet; | 
| 68 | – |  | 
| 69 | – | StatsBitSet parseStatFileFormat(const std::string& format); | 
| 52 |  |  | 
| 53 |  | /** | 
| 54 |  | * @class StatWriter StatWriter.hpp "io/StatWriter.hpp" | 
| 56 |  | */ | 
| 57 |  | class StatWriter { | 
| 58 |  | public: | 
| 59 | < | StatWriter(const std::string& filename, const StatsBitSet& mask); | 
| 59 | > | StatWriter(const std::string& filename, Stats* stats); | 
| 60 |  | ~StatWriter(); | 
| 61 |  |  | 
| 62 | < | void writeStat(const Stats& s); | 
| 63 | < |  | 
| 82 | < | StatsBitSet getMask() { | 
| 83 | < | return mask_; | 
| 84 | < | } | 
| 85 | < |  | 
| 62 | > | void writeStat(); | 
| 63 | > |  | 
| 64 |  | private: | 
| 87 | – |  | 
| 65 |  | void writeTitle(); | 
| 66 | + | void writeReal(int i); | 
| 67 | + | void writeVector(int i); | 
| 68 | + | void writeMatrix(int i); | 
| 69 |  |  | 
| 70 |  | std::ofstream statfile_; | 
| 71 | < | StatsBitSet mask_; | 
| 92 | < |  | 
| 71 | > | Stats* stats_; | 
| 72 |  | }; | 
| 94 | – |  | 
| 73 |  | } | 
| 74 | < | #endif //IO_STATWRITER_HPP | 
| 74 | > | #endif |