IPKM/python-pygmx
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Bundle commit of all recent changes on pygmx.

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This commit is contained in:
Niels Müller
2016-03-30 11:52:02 +02:00
parent 435e9adaf2
commit 56c38cb46b
8 changed files with 214 additions and 47 deletions
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12
pygmx/fileio.pxd
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@ -1,12 +1,24 @@
# from libc.stdio cimport FILE
from utility cimport *
#cdef extern from "gromacs/fileio/gmx_system_xdr.h":
# ctypedef struct XDR:
# pass
cdef extern from "gromacs/fileio/gmxfio.h":
ctypedef struct t_fileio:
pass
void gmx_fio_rewind(t_fileio *fio)
int gmx_fio_seek(t_fileio *fio, gmx_off_t fpos)
gmx_off_t gmx_fio_ftell(t_fileio *fio)
# int xtc_seek_frame(t_fileio *fio, int frame, int natoms)
int xtc_seek_time(t_fileio *fio, real time, int natoms, gmx_bool bSeekForwardOnly)
void gmx_fio_setdebug(t_fileio *fio, gmx_bool bDebug)