#include "largefiles.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include "molfile_plugin.h"
#include "periodic_table.h"
Go to the source code of this file.
Compounds | |
struct | xyzdata |
Functions | |
void * | open_xyz_read (const char *filename, const char *filetype, int *natoms) |
int | read_xyz_structure (void *mydata, int *optflags, molfile_atom_t *atoms) |
int | read_xyz_timestep (void *mydata, int natoms, molfile_timestep_t *ts) |
void | close_xyz_read (void *mydata) |
void * | open_xyz_write (const char *filename, const char *filetype, int natoms) |
int | write_xyz_structure (void *mydata, int optflags, const molfile_atom_t *atoms) |
int | write_xyz_timestep (void *mydata, const molfile_timestep_t *ts) |
void | close_xyz_write (void *mydata) |
VMDPLUGIN_API int | VMDPLUGIN_init () |
VMDPLUGIN_API int | VMDPLUGIN_register (void *v, vmdplugin_register_cb cb) |
VMDPLUGIN_API int | VMDPLUGIN_fini () |
Variables | |
molfile_plugin_t | xyzplugin |
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Definition at line 176 of file xyzplugin.c. References xyzdata::file, and xyzdata::file_name. |
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Definition at line 232 of file xyzplugin.c. References xyzdata::atomlist, xyzdata::file, and xyzdata::file_name. |
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Definition at line 55 of file xyzplugin.c. References xyzdata::file, xyzdata::file_name, and xyzdata::numatoms. |
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Definition at line 184 of file xyzplugin.c. References xyzdata::file, xyzdata::file_name, and xyzdata::numatoms. |
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Definition at line 138 of file xyzplugin.c. References molfile_timestep_t::coords, xyzdata::file, xyzdata::file_name, MOLFILE_ERROR, and MOLFILE_SUCCESS. |
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The Fini method is called when the application will no longer use any plugins in the library. Definition at line 274 of file xyzplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Init routine: called the first time the library is loaded by the application and before any other API functions are referenced. Return 0 on success. Definition at line 265 of file xyzplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Allow the library to register plugins with the application. The callback should be called using the passed-in void pointer, which should not be interpreted in any way by the library. Each vmdplugin_t pointer passed to the application should point to statically-allocated or heap-allocated memory and should never be later modified by the plugin. Applications must be permitted to retain only a copy of the the plugin pointer, without making any deep copy of the items in the struct. Definition at line 269 of file xyzplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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Definition at line 203 of file xyzplugin.c. References xyzdata::atomlist, MOLFILE_SUCCESS, and xyzdata::numatoms. |
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Definition at line 211 of file xyzplugin.c. References xyzdata::atomlist, molfile_timestep_t::coords, xyzdata::file, MOLFILE_SUCCESS, xyzdata::numatoms, and molfile_atom_t::type. |
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Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "xyz", "XYZ", "Mauricio Carrillo Tripp, John E. Stone, Axel Kohlmeyer", 0, 9, VMDPLUGIN_THREADSAFE, "xyz", open_xyz_read, read_xyz_structure, 0, read_xyz_timestep, close_xyz_read, open_xyz_write, write_xyz_structure, write_xyz_timestep, close_xyz_write, 0, 0, 0 } Definition at line 241 of file xyzplugin.c. |