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First draft of a python wrapper for gromacs library

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Niels Müller
2016-03-16 13:07:02 +01:00
parent b49941595b
commit 58d5d3a6c4
12 changed files with 18621 additions and 0 deletions
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pygmx/fileio.pxd Normal file
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from utility cimport *
cdef extern from "gromacs/fileio/gmxfio.h":
ctypedef struct t_fileio:
pass
int gmx_fio_seek(t_fileio *fio, gmx_off_t fpos)
gmx_off_t gmx_fio_ftell(t_fileio *fio)
int xtc_seek_time(t_fileio *fio, real time, int natoms, gmx_bool bSeekForwardOnly)