46 |
|
#ifndef IO_RESTREADER_HPP |
47 |
|
#define IO_RESTREADER_HPP |
48 |
|
|
49 |
< |
#include "io/DumpReader.hpp" |
49 |
> |
#include <cstdio> |
50 |
> |
#include <string> |
51 |
> |
#include "brains/SimInfo.hpp" |
52 |
> |
#include "primitives/StuntDouble.hpp" |
53 |
|
|
54 |
|
namespace OpenMD { |
55 |
|
|
56 |
|
/** |
57 |
|
* @class RestReader RestReader.hpp "io/RestReader.hpp" |
58 |
|
*/ |
59 |
< |
class RestReader : public DumpReader { |
59 |
> |
class RestReader { |
60 |
|
public: |
61 |
< |
RestReader(SimInfo* info, const std::string &filename) : DumpReader(info, filename){} |
62 |
< |
void readReferenceStructure(); |
61 |
> |
RestReader(SimInfo* info, const std::string &filename, |
62 |
> |
std::vector<int> stuntDoubleIndex) |
63 |
> |
: info_(info), filename_(filename){ |
64 |
> |
stuntDoubleIndex_ = stuntDoubleIndex; |
65 |
> |
#ifdef IS_MPI |
66 |
> |
|
67 |
> |
if (worldRank == 0) { |
68 |
> |
#endif |
69 |
> |
|
70 |
> |
inFile_ = new std::ifstream(filename_.c_str()); |
71 |
> |
|
72 |
> |
if (inFile_->fail()) { |
73 |
> |
sprintf(painCave.errMsg, |
74 |
> |
"RestReader: Cannot open file: %s\n", |
75 |
> |
filename_.c_str()); |
76 |
> |
painCave.isFatal = 1; |
77 |
> |
simError(); |
78 |
> |
} |
79 |
> |
|
80 |
> |
#ifdef IS_MPI |
81 |
> |
|
82 |
> |
} |
83 |
> |
|
84 |
> |
strcpy(checkPointMsg, "Reference file opened for reading successfully."); |
85 |
> |
errorCheckPoint(); |
86 |
> |
|
87 |
> |
#endif |
88 |
> |
|
89 |
> |
return; |
90 |
> |
} |
91 |
> |
|
92 |
> |
void readReferenceStructure(void); |
93 |
> |
|
94 |
> |
~RestReader(){ |
95 |
> |
#ifdef IS_MPI |
96 |
> |
if (worldRank == 0){ |
97 |
> |
#endif |
98 |
> |
|
99 |
> |
delete inFile_; |
100 |
> |
|
101 |
> |
#ifdef IS_MPI |
102 |
> |
} |
103 |
> |
|
104 |
> |
strcpy(checkPointMsg, "Reference file closed successfully."); |
105 |
> |
errorCheckPoint(); |
106 |
> |
#endif |
107 |
> |
} |
108 |
> |
|
109 |
|
protected: |
110 |
< |
virtual void parseDumpLine(const std::string&); |
111 |
< |
virtual void readFrameProperties(std::istream& inputStream); |
110 |
> |
void parseDumpLine(const std::string& line); |
111 |
> |
void readStuntDoubles(std::istream& inpuStream); |
112 |
> |
void readFrameProperties(std::istream& inputStream); |
113 |
> |
void scanFile(void); |
114 |
> |
void readSet(void); |
115 |
|
private: |
116 |
+ |
|
117 |
+ |
SimInfo* info_; |
118 |
+ |
|
119 |
|
std::vector<Vector3d> all_pos_; |
120 |
+ |
std::vector<int> stuntDoubleIndex_; |
121 |
+ |
|
122 |
+ |
std::istream* inFile_; |
123 |
+ |
std::string filename_; |
124 |
+ |
|
125 |
+ |
std::streampos framePos_; |
126 |
+ |
|
127 |
+ |
const static int bufferSize = 4096; |
128 |
+ |
char buffer[bufferSize]; |
129 |
|
}; |
130 |
|
|
131 |
|
} //end namespace OpenMD |