Gromacs
2022.2
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#include <string>
#include <utility>
#include "gromacs/coordinateio/ioutputadapter.h"
#include "gromacs/coordinateio/outputadaptercontainer.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/topology/atoms.h"
CoordinateFile takes care of opening files and writing output to them.
Classes | |
class | gmx::TrajectoryFileOpener |
Low level method to take care of only file opening and closing. More... | |
class | gmx::TrajectoryFrameWriter |
Writes coordinate frames to a sink, e.g. a trajectory file. More... | |
Typedefs | |
using | gmx::TrajectoryFrameWriterPointer = std::unique_ptr< TrajectoryFrameWriter > |
Smart pointer to manage the TrajectoryFrameWriter object. | |
Functions | |
std::unique_ptr < TrajectoryFrameWriter > | gmx::createTrajectoryFrameWriter (const gmx_mtop_t *top, const Selection &sel, const std::string &filename, AtomsDataPtr atoms, OutputRequirements requirements) |
Factory function for TrajectoryFrameWriter. More... | |