Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Functions
coordinatefile.cpp File Reference
#include "gmxpre.h"
#include "coordinatefile.h"
#include <algorithm>
#include "gromacs/coordinateio/outputadapters.h"
#include "gromacs/coordinateio/requirements.h"
#include "gromacs/math/vec.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/utility/exceptions.h"
+ Include dependency graph for coordinatefile.cpp:

Description

Implements methods from coordinatefile.h.

Author
Paul Bauer paul..nosp@m.baue.nosp@m.r.q@g.nosp@m.mail.nosp@m..com

Functions

static int gmx::getFileType (const std::string &filename)
 Get the internal file type from the filename. More...
 
static unsigned long gmx::getSupportedOutputAdapters (int filetype)
 Get the flag representing the requirements for a given file output. More...
 
static OutputAdapterContainer gmx::addOutputAdapters (const OutputRequirements &requirements, AtomsDataPtr atoms, const Selection &sel, unsigned long abilities)
 Creates a new container object with the user requested IOutputAdapter derived methods attached to it. More...
 
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...
 
static void gmx::deepCopy_t_trxframe (const t_trxframe &input, t_trxframe *copy, RVec *xvec, RVec *vvec, RVec *fvec, int *indexvec)
 Create a deep copy of a t_trxframe input into copy. More...
 
static t_trxstatus * gmx::openTNG (const std::string &name, const Selection &sel, const gmx_mtop_t *mtop)
 Method to open TNG file. More...