| 42 |
|
#include "io/DumpWriter.hpp" |
| 43 |
|
#include "primitives/Molecule.hpp" |
| 44 |
|
#include "utils/simError.h" |
| 45 |
< |
|
| 45 |
> |
#include "io/basic_teebuf.hpp" |
| 46 |
|
#ifdef IS_MPI |
| 47 |
|
#include <mpi.h> |
| 48 |
|
#endif //is_mpi |
| 49 |
|
|
| 50 |
|
namespace oopse { |
| 51 |
+ |
|
| 52 |
+ |
DumpWriter::DumpWriter(SimInfo* info) |
| 53 |
+ |
: info_(info), filename_(info->getDumpFileName()), eorFilename_(info->getFinalConfigFileName()){ |
| 54 |
+ |
#ifdef IS_MPI |
| 55 |
+ |
|
| 56 |
+ |
if (worldRank == 0) { |
| 57 |
+ |
#endif // is_mpi |
| 58 |
+ |
|
| 59 |
+ |
dumpFile_.open(filename_.c_str(), std::ios::out | std::ios::trunc); |
| 60 |
+ |
|
| 61 |
+ |
if (!dumpFile_) { |
| 62 |
+ |
sprintf(painCave.errMsg, "Could not open \"%s\" for dump output.\n", |
| 63 |
+ |
filename_.c_str()); |
| 64 |
+ |
painCave.isFatal = 1; |
| 65 |
+ |
simError(); |
| 66 |
+ |
} |
| 67 |
+ |
|
| 68 |
+ |
#ifdef IS_MPI |
| 69 |
+ |
|
| 70 |
+ |
} |
| 71 |
+ |
|
| 72 |
+ |
sprintf(checkPointMsg, "Sucessfully opened output file for dumping.\n"); |
| 73 |
+ |
MPIcheckPoint(); |
| 74 |
|
|
| 75 |
+ |
#endif // is_mpi |
| 76 |
+ |
|
| 77 |
+ |
} |
| 78 |
+ |
|
| 79 |
+ |
|
| 80 |
|
DumpWriter::DumpWriter(SimInfo* info, const std::string& filename) |
| 81 |
|
: info_(info), filename_(filename){ |
| 82 |
|
#ifdef IS_MPI |
| 84 |
|
if (worldRank == 0) { |
| 85 |
|
#endif // is_mpi |
| 86 |
|
|
| 87 |
+ |
eorFilename_ = filename_.substr(0, filename_.rfind(".")) + ".eor"; |
| 88 |
|
dumpFile_.open(filename_.c_str(), std::ios::out | std::ios::trunc); |
| 89 |
|
|
| 90 |
|
if (!dumpFile_) { |
| 149 |
|
<< eta(0, 1) << "\t" << eta(1, 1) << "\t" << eta(2, 1) << ";\t" |
| 150 |
|
<< eta(0, 2) << "\t" << eta(1, 2) << "\t" << eta(2, 2) << ";"; |
| 151 |
|
|
| 152 |
< |
os << std::endl; |
| 152 |
> |
os << "\n"; |
| 153 |
|
} |
| 154 |
|
|
| 155 |
|
void DumpWriter::writeFrame(std::ostream& os) { |
| 575 |
|
} |
| 576 |
|
|
| 577 |
|
#endif // is_mpi |
| 578 |
+ |
|
| 579 |
+ |
} |
| 580 |
+ |
|
| 581 |
+ |
void DumpWriter::writeDump() { |
| 582 |
+ |
writeFrame(dumpFile_); |
| 583 |
|
|
| 584 |
|
} |
| 585 |
|
|
| 586 |
+ |
void DumpWriter::writeEor() { |
| 587 |
+ |
std::ofstream eorStream; |
| 588 |
+ |
|
| 589 |
+ |
#ifdef IS_MPI |
| 590 |
+ |
if (worldRank == 0) { |
| 591 |
+ |
#endif // is_mpi |
| 592 |
+ |
|
| 593 |
+ |
eorStream.open(eorFilename_.c_str()); |
| 594 |
+ |
if (!eorStream.is_open()) { |
| 595 |
+ |
sprintf(painCave.errMsg, "DumpWriter : Could not open \"%s\" for writing.\n", |
| 596 |
+ |
eorFilename_.c_str()); |
| 597 |
+ |
painCave.isFatal = 1; |
| 598 |
+ |
simError(); |
| 599 |
+ |
} |
| 600 |
+ |
|
| 601 |
+ |
#ifdef IS_MPI |
| 602 |
+ |
} |
| 603 |
+ |
#endif // is_mpi |
| 604 |
+ |
|
| 605 |
+ |
writeFrame(eorStream); |
| 606 |
+ |
} |
| 607 |
+ |
|
| 608 |
+ |
|
| 609 |
+ |
void DumpWriter::writeDumpAndEor() { |
| 610 |
+ |
std::ofstream eorStream; |
| 611 |
+ |
std::vector<std::streambuf*> buffers; |
| 612 |
+ |
#ifdef IS_MPI |
| 613 |
+ |
if (worldRank == 0) { |
| 614 |
+ |
#endif // is_mpi |
| 615 |
+ |
|
| 616 |
+ |
buffers.push_back(dumpFile_.rdbuf()); |
| 617 |
+ |
|
| 618 |
+ |
eorStream.open(eorFilename_.c_str()); |
| 619 |
+ |
if (!eorStream.is_open()) { |
| 620 |
+ |
sprintf(painCave.errMsg, "DumpWriter : Could not open \"%s\" for writing.\n", |
| 621 |
+ |
eorFilename_.c_str()); |
| 622 |
+ |
painCave.isFatal = 1; |
| 623 |
+ |
simError(); |
| 624 |
+ |
} |
| 625 |
+ |
|
| 626 |
+ |
buffers.push_back(eorStream.rdbuf()); |
| 627 |
+ |
|
| 628 |
+ |
#ifdef IS_MPI |
| 629 |
+ |
} |
| 630 |
+ |
#endif // is_mpi |
| 631 |
+ |
|
| 632 |
+ |
TeeBuf tbuf(buffers.begin(), buffers.end()); |
| 633 |
+ |
std::ostream os(&tbuf); |
| 634 |
+ |
|
| 635 |
+ |
writeFrame(os); |
| 636 |
+ |
|
| 637 |
+ |
} |
| 638 |
+ |
|
| 639 |
+ |
|
| 640 |
+ |
|
| 641 |
|
}//end namespace oopse |
