The C interface is define in the chemfiles.h
, in which all the functions and
enums have a chfl_
prefix for namespacing. Main chemfiles types are the
following opaque pointer types:
The user is reponsible for memory management when using these types.
Constructors functions (functions returning pointers to types defined above)
return freshly allocated memory, and calling the chfl_*_free
functions
return the corresponding memory to the operating system.
chfl_vector3d
[3]¶A 3-dimmensional vector for the chemfiles interface.
chemfiles.h
also exports the same macro as in the
C++ interface, and the chfl_version
function allow to access the version of
the Chemfiles library.
chfl_version
(void)¶Get the version of the chemfiles library.
const char* version = chfl_version();
assert(strcmp(version, CHEMFILES_VERSION) == 0);
CHFL_TRAJECTORY
CHFL_FRAME
CHFL_TOPOLOGY
CHFL_RESIDUE
CHFL_ATOM
CHFL_CELL
CHFL_SELECTION
CHFL_PROPERTY