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Commit 08510612 authored by Berk Onat's avatar Berk Onat
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Cleaning only the python part of the package

parent f50aaa49
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pymolfile/molfile/compile-numind.sh deleted 100644 → 0
View file @ f50aaa49
Cython -a numind.pyx --cplus
g++ -fPIC -Wall -Wextra -Wunused-function -shared -I/labEnv3/lib/python3.6/site-packages/numpy/core/include/ numind.cpp -o numind.so -I/labEnv3/include/python3.6m/ -L/usr/local/Cellar/python3/3.6.1/Frameworks/Python.framework/Versions/3.6/lib -lpython3.6
pymolfile/molfile/compile-signedintbuf.sh deleted 100644 → 0
View file @ f50aaa49
swig -py3 -Wall -c++ -python numpy_swig.i
g++ -fPIC -Wall -Wextra -Wunused-function -shared -I/labEnv3/lib/python3.6/site-packages/numpy/core/include/ -I. numpy_swig_wrap.cxx -o _numpy_swig.so -I/labEnv3/include/python3.6m/ -L/usr/local/Cellar/python3/3.6.1/Frameworks/Python.framework/Versions/3.6/lib -lpython3.6
pymolfile/molfile/compile.sh
View file @ 08510612
swig -py3 -Wall -c++ -python libpymolfile.i
g++-7 -fPIC -Wall -Wextra -shared -g -Wunused-function -Wunused-parameter -I/labEnv3/lib/python3.6/site-packages/numpy/core/include/ -I. libpymolfile_wrap.cxx pymolfile.c -o _libpymolfile.so -Ivmd_molfile_plugins/include/ -Ilib/ -L. lib/libmolfile_plugin.a -I/labEnv3/include/python3.6m/ -L/usr/local/Cellar/python3/3.6.1/Frameworks/Python.framework/Versions/3.6/lib -lpython3.6
g++-7 -fPIC -Wall -Wextra -shared -g -Wunused-function -Wunused-parameter \
-I/labEnv3/lib/python3.6/site-packages/numpy/core/include/ \
-I./include \
-I./include/molfile_plugin/include \
-I./lib/molfile_plugin/lib \
-I./include/plugin_src/include \
-I./include/netcdf/include \
-I./include/expat/include \
-I./include/tng/include \
libpymolfile_wrap.cxx pymolfile.c -o _libpymolfile.so -L. \
-L./lib/molfile_plugin/lib \
-L./lib/netcdf/lib \
-L./lib/expat/lib \
-L./lib/tng/lib \
lib/molfile_plugin/lib/libmolfile_plugin.a -I/labEnv3/include/python3.6m/ \
-L/usr/local/Cellar/python3/3.6.1/Frameworks/Python.framework/Versions/3.6/lib \
-lpython3.6 -ltng_io -lnetcdf -lexpat
pymolfile/molfile/deneme deleted 100644 → 0
View file @ f50aaa49
This diff is collapsed.
pymolfile/molfile/include/expat/include 0 → 120000
View file @ 08510612
/usr/local/Cellar/expat/2.2.4/include/
\ No newline at end of file
pymolfile/molfile/include/molfile_plugin/include 0 → 120000
View file @ 08510612
../../vmd_molfile_plugins/include
\ No newline at end of file
pymolfile/molfile/include/netcdf/include 0 → 120000
View file @ 08510612
/usr/local/Cellar/netcdf/4.4.1.1_6/include/
\ No newline at end of file
pymolfile/molfile/include/plugin_src/include 0 → 120000
View file @ 08510612
../../vmd_molfile_plugins/molfile_plugin/src/
\ No newline at end of file
pymolfile/molfile/pymolfile-new.h → pymolfile/molfile/include/pymolfile.h
View file @ 08510612
......@@ -120,7 +120,7 @@ static PyMemberDef MolObject_members[] = {
"file handle for plugin"},
{"natoms", T_INT, offsetof(MolObject, natoms), 0,
"number of atoms"},
{NULL} /* Sentinel */
{NULL, 0, 0, 0, NULL} /* Sentinel */
};
static PyMethodDef MolObject_methods[] = {
......@@ -133,7 +133,7 @@ static PyMethodDef MolObject_methods[] = {
{"get_natoms", (PyCFunction)MolObject_natoms, METH_NOARGS,
"Return the number of atoms"
},
{NULL} /* Sentinel */
{NULL, 0, 0, NULL} /* Sentinel */
};
......@@ -184,162 +184,13 @@ static PyTypeObject MolObjectType = {
MolObject_new, /* tp_new */
};
#if 0
struct MolAtom {
PyObject_HEAD
char* name;
char* type;
char* resname;
int* resid;
char* segid;
char* chain;
char* altloc;
char* insertion;
float* occupancy;
float* bfactor;
float* mass;
float* charge;
float* radius;
float* atomicnumber;
float* ctnumber;
MolAtom(void) {}
};
static void MolAtom_dealloc(MolAtom* self)
{
Py_XDECREF(self->name);
Py_XDECREF(self->type);
Py_XDECREF(self->resname);
Py_XDECREF(self->resid);
Py_XDECREF(self->segid);
Py_XDECREF(self->chain);
Py_XDECREF(self->altloc);
Py_XDECREF(self->insertion);
Py_XDECREF(self->occupancy);
Py_XDECREF(self->bfactor);
Py_XDECREF(self->mass);
Py_XDECREF(self->charge);
Py_XDECREF(self->radius);
Py_XDECREF(self->atomicnumber);
Py_XDECREF(self->ctnumber);
Py_TYPE(self)->tp_free((PyObject*)self);
}
static PyObject * MolAtom_new(PyTypeObject *type, PyObject *args, PyObject *kwds)
{
MolAtom *self;
self = (MolAtom *)type->tp_alloc(type, 0);
if (self != NULL) {
self->name = NULL;
self->type = NULL;
self->resname = NULL;
self->resid = NULL;
self->segid = NULL;
self->chain = NULL;
self->altloc = NULL;
self->insertion = NULL;
self->occupancy = NULL;
self->bfactor = NULL;
self->mass = NULL;
self->charge = NULL;
self->radius = NULL;
self->atomicnumber = NULL;
self->ctnumber = NULL;
}
return (PyObject *)self;
}
static PyMemberDef MolAtom_members[] = {
{"name", T_STRING, offsetof(MolAtom, name), 0,""},
{"type", T_STRING, offsetof(MolAtom, type), 0,""},
{"resname", T_STRING, offsetof(MolAtom, resname), 0,""},
{"resid", T_INT, offsetof(MolAtom, resid), 0,""},
{"segid", T_STRING, offsetof(MolAtom, segid), 0,""},
{"chain", T_STRING, offsetof(MolAtom, chain), 0,""},
{"altloc", T_STRING, offsetof(MolAtom, altloc), 0,""},
{"insertion", T_STRING, offsetof(MolAtom, insertion), 0,""},
{"occupancy", T_FLOAT, offsetof(MolAtom, occupancy), 0,""},
{"bfactor", T_FLOAT, offsetof(MolAtom, bfactor), 0,""},
{"mass", T_FLOAT, offsetof(MolAtom, mass), 0,""},
{"charge", T_FLOAT, offsetof(MolAtom, charge), 0,""},
{"radius", T_FLOAT, offsetof(MolAtom, radius), 0,""},
{"atomicnumber", T_INT, offsetof(MolAtom, atomicnumber), 0,""},
{"ctnumber", T_INT, offsetof(MolAtom, ctnumber), 0,""},
{NULL, NULL, 0, NULL} /* Sentinel */
};
static PyTypeObject MolAtomType = {
PyVarObject_HEAD_INIT(NULL, 0)
"molobject", /*tp_name*/
sizeof(MolAtom), /*tp_basicsize*/
0, /*tp_itemsize*/
(destructor)MolAtom_dealloc, /*tp_dealloc*/
0, /*tp_print*/
0, /*tp_getattr*/
0, /*tp_setattr*/
0, /*tp_reserved*/
0, /*tp_repr*/
0, /*tp_as_number*/
0, /*tp_as_sequence*/
0, /*tp_as_mapping*/
0, /*tp_hash */
0, /*tp_call*/
0, /*tp_str*/
0, /*tp_getattro*/
0, /*tp_setattro*/
0, /*tp_as_buffer*/
Py_TPFLAGS_DEFAULT |
Py_TPFLAGS_BASETYPE, /* tp_flags */
"molatom objects", /* tp_doc */
0, /* tp_traverse */
0, /* tp_clear */
0, /* tp_richcompare */
0, /* tp_weaklistoffset */
0, /* tp_iter */
0, /* tp_iternext */
0, /* tp_methods */
MolAtom_members, /* tp_members */
0, /* tp_getset */
0, /* tp_base */
0, /* tp_dict */
0, /* tp_descr_get */
0, /* tp_descr_set */
0, /* tp_dictoffset */
0, /* tp_init */
0, /* tp_alloc */
MolAtom_new, /* tp_new */
};
#endif
PyObject * my_read_structure(PyObject* molpack);
PyObject * read_fill_structure(PyObject* molpack, PyObject* prototype);
PyObject * get_structure(PyObject* molpack);
#if 0
typedef struct DICTHOLDER {
const char *key; // Dictionary key
int id; // Id of the item
int read; // 1 if molfile plugin read the format
int write; // 1 if molfile plugin write in this format
struct DICTHOLDER *next; // Next item in the dictionary
} DICTHOLDER;
struct DICTHOLDER * plugin_find(struct DICTHOLDER *dict, const char *pluginname);
PyObject * read_fill_bonds(PyObject* molpack);
PyObject * read_fill_angles(PyObject* molpack);
PyObject * read_fill_next_timestep(PyObject* molpack);
PyObject * is_plugin_same(PyObject* molpack_a, PyObject* molpack_b);
PyObject * is_filehandle_same(PyObject* molpack_a, PyObject* molpack_b);
static int plugin_add(struct DICTHOLDER *dict, const char *key, int id);
static int plugin_remove(struct DICTHOLDER *dict, const char *key);
static int has_readsupport(const char *pluginname);
static int has_writesupport(const char *pluginname);
static molfile_plugin_t *get_plugin(const char *pluginname);
static int molfile_register(void *ptr, vmdplugin_t *plugin);
#endif
molfile_plugin_t* get_plugin(molfile_plugin_t** plug_list, int plug_no);
molfile_plugin_t** molfile_plugin_list(int maxsize);
......
pymolfile/molfile/include/tng/include 0 → 120000
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/Users/bonat/TNG/tng/include/
\ No newline at end of file
pymolfile/molfile/lib/expat/lib 0 → 120000
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/usr/local/Cellar/expat/2.2.4/lib
\ No newline at end of file
pymolfile/molfile/lib/libmolfile_plugin.h deleted 100644 → 0
View file @ f50aaa49
#ifndef LIBMOLFILE_PLUGIN_H
#define LIBMOLFILE_PLUGIN_H
#include "vmdplugin.h"
#ifdef __cplusplus
extern "C" {
#endif
extern int molfile_abinitplugin_init(void);
extern int molfile_abinitplugin_register(void *, vmdplugin_register_cb);
extern int molfile_abinitplugin_fini(void);
extern int molfile_avsplugin_init(void);
extern int molfile_avsplugin_register(void *, vmdplugin_register_cb);
extern int molfile_avsplugin_fini(void);
extern int molfile_babelplugin_init(void);
extern int molfile_babelplugin_register(void *, vmdplugin_register_cb);
extern int molfile_babelplugin_fini(void);
extern int molfile_basissetplugin_init(void);
extern int molfile_basissetplugin_register(void *, vmdplugin_register_cb);
extern int molfile_basissetplugin_fini(void);
extern int molfile_bgfplugin_init(void);
extern int molfile_bgfplugin_register(void *, vmdplugin_register_cb);
extern int molfile_bgfplugin_fini(void);
extern int molfile_binposplugin_init(void);
extern int molfile_binposplugin_register(void *, vmdplugin_register_cb);
extern int molfile_binposplugin_fini(void);
extern int molfile_biomoccaplugin_init(void);
extern int molfile_biomoccaplugin_register(void *, vmdplugin_register_cb);
extern int molfile_biomoccaplugin_fini(void);
extern int molfile_brixplugin_init(void);
extern int molfile_brixplugin_register(void *, vmdplugin_register_cb);
extern int molfile_brixplugin_fini(void);
extern int molfile_carplugin_init(void);
extern int molfile_carplugin_register(void *, vmdplugin_register_cb);
extern int molfile_carplugin_fini(void);
extern int molfile_ccp4plugin_init(void);
extern int molfile_ccp4plugin_register(void *, vmdplugin_register_cb);
extern int molfile_ccp4plugin_fini(void);
extern int molfile_corplugin_init(void);
extern int molfile_corplugin_register(void *, vmdplugin_register_cb);
extern int molfile_corplugin_fini(void);
extern int molfile_cpmdplugin_init(void);
extern int molfile_cpmdplugin_register(void *, vmdplugin_register_cb);
extern int molfile_cpmdplugin_fini(void);
extern int molfile_crdplugin_init(void);
extern int molfile_crdplugin_register(void *, vmdplugin_register_cb);
extern int molfile_crdplugin_fini(void);
extern int molfile_cubeplugin_init(void);
extern int molfile_cubeplugin_register(void *, vmdplugin_register_cb);
extern int molfile_cubeplugin_fini(void);
extern int molfile_dcdplugin_init(void);
extern int molfile_dcdplugin_register(void *, vmdplugin_register_cb);
extern int molfile_dcdplugin_fini(void);
extern int molfile_dlpolyplugin_init(void);
extern int molfile_dlpolyplugin_register(void *, vmdplugin_register_cb);
extern int molfile_dlpolyplugin_fini(void);
extern int molfile_dsn6plugin_init(void);
extern int molfile_dsn6plugin_register(void *, vmdplugin_register_cb);
extern int molfile_dsn6plugin_fini(void);
extern int molfile_dxplugin_init(void);
extern int molfile_dxplugin_register(void *, vmdplugin_register_cb);
extern int molfile_dxplugin_fini(void);
extern int molfile_edmplugin_init(void);
extern int molfile_edmplugin_register(void *, vmdplugin_register_cb);
extern int molfile_edmplugin_fini(void);
extern int molfile_fs4plugin_init(void);
extern int molfile_fs4plugin_register(void *, vmdplugin_register_cb);
extern int molfile_fs4plugin_fini(void);
extern int molfile_gamessplugin_init(void);
extern int molfile_gamessplugin_register(void *, vmdplugin_register_cb);
extern int molfile_gamessplugin_fini(void);
extern int molfile_graspplugin_init(void);
extern int molfile_graspplugin_register(void *, vmdplugin_register_cb);
extern int molfile_graspplugin_fini(void);
extern int molfile_grdplugin_init(void);
extern int molfile_grdplugin_register(void *, vmdplugin_register_cb);
extern int molfile_grdplugin_fini(void);
extern int molfile_gridplugin_init(void);
extern int molfile_gridplugin_register(void *, vmdplugin_register_cb);
extern int molfile_gridplugin_fini(void);
extern int molfile_gromacsplugin_init(void);
extern int molfile_gromacsplugin_register(void *, vmdplugin_register_cb);
extern int molfile_gromacsplugin_fini(void);
extern int molfile_jsplugin_init(void);
extern int molfile_jsplugin_register(void *, vmdplugin_register_cb);
extern int molfile_jsplugin_fini(void);
extern int molfile_lammpsplugin_init(void);
extern int molfile_lammpsplugin_register(void *, vmdplugin_register_cb);
extern int molfile_lammpsplugin_fini(void);
extern int molfile_mapplugin_init(void);
extern int molfile_mapplugin_register(void *, vmdplugin_register_cb);
extern int molfile_mapplugin_fini(void);
extern int molfile_mdfplugin_init(void);
extern int molfile_mdfplugin_register(void *, vmdplugin_register_cb);
extern int molfile_mdfplugin_fini(void);
extern int molfile_mol2plugin_init(void);
extern int molfile_mol2plugin_register(void *, vmdplugin_register_cb);
extern int molfile_mol2plugin_fini(void);
extern int molfile_moldenplugin_init(void);
extern int molfile_moldenplugin_register(void *, vmdplugin_register_cb);
extern int molfile_moldenplugin_fini(void);
extern int molfile_molemeshplugin_init(void);
extern int molfile_molemeshplugin_register(void *, vmdplugin_register_cb);
extern int molfile_molemeshplugin_fini(void);
extern int molfile_msmsplugin_init(void);
extern int molfile_msmsplugin_register(void *, vmdplugin_register_cb);
extern int molfile_msmsplugin_fini(void);
extern int molfile_namdbinplugin_init(void);
extern int molfile_namdbinplugin_register(void *, vmdplugin_register_cb);
extern int molfile_namdbinplugin_fini(void);
extern int molfile_offplugin_init(void);
extern int molfile_offplugin_register(void *, vmdplugin_register_cb);
extern int molfile_offplugin_fini(void);
extern int molfile_parm7plugin_init(void);
extern int molfile_parm7plugin_register(void *, vmdplugin_register_cb);
extern int molfile_parm7plugin_fini(void);
extern int molfile_parmplugin_init(void);
extern int molfile_parmplugin_register(void *, vmdplugin_register_cb);
extern int molfile_parmplugin_fini(void);
extern int molfile_pbeqplugin_init(void);
extern int molfile_pbeqplugin_register(void *, vmdplugin_register_cb);
extern int molfile_pbeqplugin_fini(void);
extern int molfile_pdbplugin_init(void);
extern int molfile_pdbplugin_register(void *, vmdplugin_register_cb);
extern int molfile_pdbplugin_fini(void);
extern int molfile_pdbxplugin_init(void);
extern int molfile_pdbxplugin_register(void *, vmdplugin_register_cb);
extern int molfile_pdbxplugin_fini(void);
extern int molfile_phiplugin_init(void);
extern int molfile_phiplugin_register(void *, vmdplugin_register_cb);
extern int molfile_phiplugin_fini(void);
extern int molfile_pltplugin_init(void);
extern int molfile_pltplugin_register(void *, vmdplugin_register_cb);
extern int molfile_pltplugin_fini(void);
extern int molfile_plyplugin_init(void);
extern int molfile_plyplugin_register(void *, vmdplugin_register_cb);
extern int molfile_plyplugin_fini(void);
extern int molfile_pqrplugin_init(void);
extern int molfile_pqrplugin_register(void *, vmdplugin_register_cb);
extern int molfile_pqrplugin_fini(void);
extern int molfile_psfplugin_init(void);
extern int molfile_psfplugin_register(void *, vmdplugin_register_cb);
extern int molfile_psfplugin_fini(void);
extern int molfile_raster3dplugin_init(void);
extern int molfile_raster3dplugin_register(void *, vmdplugin_register_cb);
extern int molfile_raster3dplugin_fini(void);
extern int molfile_rst7plugin_init(void);
extern int molfile_rst7plugin_register(void *, vmdplugin_register_cb);
extern int molfile_rst7plugin_fini(void);
extern int molfile_situsplugin_init(void);
extern int molfile_situsplugin_register(void *, vmdplugin_register_cb);
extern int molfile_situsplugin_fini(void);
extern int molfile_spiderplugin_init(void);
extern int molfile_spiderplugin_register(void *, vmdplugin_register_cb);
extern int molfile_spiderplugin_fini(void);
extern int molfile_stlplugin_init(void);
extern int molfile_stlplugin_register(void *, vmdplugin_register_cb);
extern int molfile_stlplugin_fini(void);
extern int molfile_tinkerplugin_init(void);
extern int molfile_tinkerplugin_register(void *, vmdplugin_register_cb);
extern int molfile_tinkerplugin_fini(void);
extern int molfile_uhbdplugin_init(void);
extern int molfile_uhbdplugin_register(void *, vmdplugin_register_cb);
extern int molfile_uhbdplugin_fini(void);
extern int molfile_vaspchgcarplugin_init(void);
extern int molfile_vaspchgcarplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vaspchgcarplugin_fini(void);
extern int molfile_vaspoutcarplugin_init(void);
extern int molfile_vaspoutcarplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vaspoutcarplugin_fini(void);
extern int molfile_vaspparchgplugin_init(void);
extern int molfile_vaspparchgplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vaspparchgplugin_fini(void);
extern int molfile_vaspposcarplugin_init(void);
extern int molfile_vaspposcarplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vaspposcarplugin_fini(void);
extern int molfile_vasp5xdatcarplugin_init(void);
extern int molfile_vasp5xdatcarplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vasp5xdatcarplugin_fini(void);
extern int molfile_vaspxdatcarplugin_init(void);
extern int molfile_vaspxdatcarplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vaspxdatcarplugin_fini(void);
extern int molfile_vaspxmlplugin_init(void);
extern int molfile_vaspxmlplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vaspxmlplugin_fini(void);
extern int molfile_vtkplugin_init(void);
extern int molfile_vtkplugin_register(void *, vmdplugin_register_cb);
extern int molfile_vtkplugin_fini(void);
extern int molfile_xbgfplugin_init(void);
extern int molfile_xbgfplugin_register(void *, vmdplugin_register_cb);
extern int molfile_xbgfplugin_fini(void);
extern int molfile_xsfplugin_init(void);
extern int molfile_xsfplugin_register(void *, vmdplugin_register_cb);
extern int molfile_xsfplugin_fini(void);
extern int molfile_xyzplugin_init(void);
extern int molfile_xyzplugin_register(void *, vmdplugin_register_cb);
extern int molfile_xyzplugin_fini(void);
extern int molfile_dtrplugin_init(void);
extern int molfile_dtrplugin_register(void *, vmdplugin_register_cb);
extern int molfile_dtrplugin_fini(void);
extern int molfile_maeffplugin_init(void);
extern int molfile_maeffplugin_register(void *, vmdplugin_register_cb);
extern int molfile_maeffplugin_fini(void);
#define MOLFILE_INIT_ALL \
molfile_abinitplugin_init(); \
molfile_avsplugin_init(); \
molfile_babelplugin_init(); \
molfile_basissetplugin_init(); \
molfile_bgfplugin_init(); \
molfile_binposplugin_init(); \
molfile_biomoccaplugin_init(); \
molfile_brixplugin_init(); \
molfile_carplugin_init(); \
molfile_ccp4plugin_init(); \
molfile_corplugin_init(); \
molfile_cpmdplugin_init(); \
molfile_crdplugin_init(); \
molfile_cubeplugin_init(); \
molfile_dcdplugin_init(); \
molfile_dlpolyplugin_init(); \
molfile_dsn6plugin_init(); \
molfile_dxplugin_init(); \
molfile_edmplugin_init(); \
molfile_fs4plugin_init(); \
molfile_gamessplugin_init(); \
molfile_graspplugin_init(); \
molfile_grdplugin_init(); \
molfile_gridplugin_init(); \
molfile_gromacsplugin_init(); \
molfile_jsplugin_init(); \
molfile_lammpsplugin_init(); \
molfile_mapplugin_init(); \
molfile_mdfplugin_init(); \
molfile_mol2plugin_init(); \
molfile_moldenplugin_init(); \
molfile_molemeshplugin_init(); \
molfile_msmsplugin_init(); \
molfile_namdbinplugin_init(); \
molfile_offplugin_init(); \
molfile_parm7plugin_init(); \
molfile_parmplugin_init(); \
molfile_pbeqplugin_init(); \
molfile_pdbplugin_init(); \
molfile_pdbxplugin_init(); \
molfile_phiplugin_init(); \
molfile_pltplugin_init(); \
molfile_plyplugin_init(); \
molfile_pqrplugin_init(); \
molfile_psfplugin_init(); \
molfile_raster3dplugin_init(); \
molfile_rst7plugin_init(); \
molfile_situsplugin_init(); \
molfile_spiderplugin_init(); \
molfile_stlplugin_init(); \
molfile_tinkerplugin_init(); \
molfile_uhbdplugin_init(); \
molfile_vaspchgcarplugin_init(); \
molfile_vaspoutcarplugin_init(); \
molfile_vaspparchgplugin_init(); \
molfile_vaspposcarplugin_init(); \
molfile_vasp5xdatcarplugin_init(); \
molfile_vaspxdatcarplugin_init(); \
molfile_vaspxmlplugin_init(); \
molfile_vtkplugin_init(); \
molfile_xbgfplugin_init(); \
molfile_xsfplugin_init(); \
molfile_xyzplugin_init(); \
molfile_dtrplugin_init(); \
molfile_maeffplugin_init(); \
#define MOLFILE_REGISTER_ALL(v, cb) \
molfile_abinitplugin_register(v, cb); \
molfile_avsplugin_register(v, cb); \
molfile_babelplugin_register(v, cb); \
molfile_basissetplugin_register(v, cb); \
molfile_bgfplugin_register(v, cb); \
molfile_binposplugin_register(v, cb); \
molfile_biomoccaplugin_register(v, cb); \
molfile_brixplugin_register(v, cb); \
molfile_carplugin_register(v, cb); \
molfile_ccp4plugin_register(v, cb); \
molfile_corplugin_register(v, cb); \
molfile_cpmdplugin_register(v, cb); \
molfile_crdplugin_register(v, cb); \
molfile_cubeplugin_register(v, cb); \
molfile_dcdplugin_register(v, cb); \
molfile_dlpolyplugin_register(v, cb); \
molfile_dsn6plugin_register(v, cb); \
molfile_dxplugin_register(v, cb); \
molfile_edmplugin_register(v, cb); \
molfile_fs4plugin_register(v, cb); \
molfile_gamessplugin_register(v, cb); \
molfile_graspplugin_register(v, cb); \
molfile_grdplugin_register(v, cb); \
molfile_gridplugin_register(v, cb); \
molfile_gromacsplugin_register(v, cb); \
molfile_jsplugin_register(v, cb); \
molfile_lammpsplugin_register(v, cb); \
molfile_mapplugin_register(v, cb); \
molfile_mdfplugin_register(v, cb); \
molfile_mol2plugin_register(v, cb); \
molfile_moldenplugin_register(v, cb); \
molfile_molemeshplugin_register(v, cb); \
molfile_msmsplugin_register(v, cb); \
molfile_namdbinplugin_register(v, cb); \
molfile_offplugin_register(v, cb); \
molfile_parm7plugin_register(v, cb); \
molfile_parmplugin_register(v, cb); \
molfile_pbeqplugin_register(v, cb); \
molfile_pdbplugin_register(v, cb); \
molfile_pdbxplugin_register(v, cb); \
molfile_phiplugin_register(v, cb); \
molfile_pltplugin_register(v, cb); \
molfile_plyplugin_register(v, cb); \
molfile_pqrplugin_register(v, cb); \
molfile_psfplugin_register(v, cb); \
molfile_raster3dplugin_register(v, cb); \
molfile_rst7plugin_register(v, cb); \
molfile_situsplugin_register(v, cb); \
molfile_spiderplugin_register(v, cb); \
molfile_stlplugin_register(v, cb); \
molfile_tinkerplugin_register(v, cb); \
molfile_uhbdplugin_register(v, cb); \
molfile_vaspchgcarplugin_register(v, cb); \
molfile_vaspoutcarplugin_register(v, cb); \
molfile_vaspparchgplugin_register(v, cb); \
molfile_vaspposcarplugin_register(v, cb); \
molfile_vasp5xdatcarplugin_register(v, cb); \
molfile_vaspxdatcarplugin_register(v, cb); \
molfile_vaspxmlplugin_register(v, cb); \
molfile_vtkplugin_register(v, cb); \
molfile_xbgfplugin_register(v, cb); \
molfile_xsfplugin_register(v, cb); \
molfile_xyzplugin_register(v, cb); \
molfile_dtrplugin_register(v, cb); \
molfile_maeffplugin_register(v, cb); \
#define MOLFILE_FINI_ALL \
molfile_abinitplugin_fini(); \
molfile_avsplugin_fini(); \
molfile_babelplugin_fini(); \
molfile_basissetplugin_fini(); \
molfile_bgfplugin_fini(); \
molfile_binposplugin_fini(); \
molfile_biomoccaplugin_fini(); \
molfile_brixplugin_fini(); \
molfile_carplugin_fini(); \
molfile_ccp4plugin_fini(); \
molfile_corplugin_fini(); \
molfile_cpmdplugin_fini(); \
molfile_crdplugin_fini(); \
molfile_cubeplugin_fini(); \
molfile_dcdplugin_fini(); \
molfile_dlpolyplugin_fini(); \
molfile_dsn6plugin_fini(); \
molfile_dxplugin_fini(); \
molfile_edmplugin_fini(); \
molfile_fs4plugin_fini(); \
molfile_gamessplugin_fini(); \
molfile_graspplugin_fini(); \