VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2

mpiBparser.h
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1 /*
2  * File: mpiBparser.h
3  * Author: zhang30
4  *
5  * Created on August 14, 2012, 1:58 PM
6  */
7 
8 #ifndef MPIPARSER_H
9 #define MPIPARSER_H
10 #include <string>
11 
12 #ifdef USE_MPI
13 #include "dockBMPI.h"
14 
15 int mpiParser(int argc, char* argv[],
16  std::string& recFile,
17  std::string& fleFile,
18  std::string& ligFile,
19  std::vector<std::string>& ligList,
20  std::vector<std::string>& recList,
21  std::vector<std::string>& fleList,
22  std::vector<std::vector<double> >& geoList,
23  JobInputData& jobInput);
24 
25 #endif
26 #endif /* MPIPARSER_H */
27