#include "largefiles.h"#include <sys/stat.h>#include <sys/types.h>#include <stdio.h>#include <stdlib.h>#include <string.h>#include <math.h>#include "hash.h"#include "fastio.h"#include "endianswap.h"#include "molfile_plugin.h"Go to the source code of this file.
Compounds | |
| struct | jshandle |
Defines | |
| #define | VMDPLUGIN_STATIC |
| #define | M_PI_2 1.57079632679489661922 |
| #define | JSHEADERSTRING "JS Binary Structure and Trajectory File Format" |
| #define | JSMAGICNUMBER 0x31337 |
| #define | JSENDIANISM 0x12345678 |
| #define | JSMAJORVERSION 1 |
| #define | JSMINORVERSION 0 |
| #define | JSNFRAMESOFFSET (strlen(JSHEADERSTRING) + 20) |
| #define | JSNOERR 0 |
| #define | JSBADFILE 1 |
| #define | JSBADFORMAT 2 |
| #define | JSOPT_NOOPTIONS 0x0000 |
| #define | JSOPT_STRUCTURE 0x0001 |
| #define | JSOPT_BONDS 0x0002 |
| #define | JSOPT_BONDORDERS 0x0004 |
| #define | JSOPT_OCCUPANCY 0x0008 |
| #define | JSOPT_BFACTOR 0x0010 |
| #define | JSOPT_MASS 0x0020 |
| #define | JSOPT_CHARGE 0x0040 |
| #define | JSOPT_RADIUS 0x0080 |
| #define | JSOPT_ATOMICNUMBER 0x0100 |
Functions | |
| void * | open_js_read (const char *path, const char *filetype, int *natoms) |
| int | read_js_timestep (void *v, int natoms, molfile_timestep_t *ts) |
| void | close_js_read (void *v) |
| void * | open_js_write (const char *path, const char *filetype, int natoms) |
| int | write_js_timestep (void *v, const molfile_timestep_t *ts) |
| void | close_js_write (void *v) |
| 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 | plugin |
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Definition at line 74 of file jsplugin.c. |
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Definition at line 75 of file jsplugin.c. |
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Definition at line 62 of file jsplugin.c. Referenced by open_js_read, and open_js_write. |
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Definition at line 60 of file jsplugin.c. Referenced by open_js_read, and open_js_write. |
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Definition at line 61 of file jsplugin.c. Referenced by open_js_read, and open_js_write. |
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Definition at line 67 of file jsplugin.c. Referenced by open_js_write. |
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Definition at line 68 of file jsplugin.c. Referenced by open_js_write. |
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Definition at line 71 of file jsplugin.c. Referenced by close_js_write. |
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Definition at line 73 of file jsplugin.c. |
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Definition at line 87 of file jsplugin.c. |
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Definition at line 83 of file jsplugin.c. |
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Definition at line 81 of file jsplugin.c. |
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Definition at line 80 of file jsplugin.c. |
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Definition at line 85 of file jsplugin.c. |
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Definition at line 84 of file jsplugin.c. |
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Definition at line 78 of file jsplugin.c. |
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Definition at line 82 of file jsplugin.c. |
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Definition at line 86 of file jsplugin.c. |
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Definition at line 79 of file jsplugin.c. |
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Definition at line 57 of file jsplugin.c. Referenced by read_js_timestep, and write_js_timestep. |
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Definition at line 50 of file jsplugin.c. |
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Definition at line 541 of file jsplugin.c. References jshandle::fd, and fio_fclose. Referenced by VMDPLUGIN_init. |
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Definition at line 983 of file jsplugin.c. References jshandle::fd, fio_fclose, fio_fseek, FIO_SEEK_END, FIO_SEEK_SET, fio_write_int32, JSNFRAMESOFFSET, and jshandle::nframes. Referenced by VMDPLUGIN_init. |
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Definition at line 112 of file jsplugin.c. References jshandle::fd, fio_fclose, fio_fread, fio_open, FIO_READ, fio_read_int32, JSENDIANISM, JSHEADERSTRING, JSMAGICNUMBER, jshandle::natoms, jshandle::nframes, jshandle::reverseendian, and swap4_aligned. Referenced by VMDPLUGIN_init. |
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Definition at line 558 of file jsplugin.c. References jshandle::fd, fio_open, FIO_WRITE, fio_write_int32, fio_write_str, JSENDIANISM, JSHEADERSTRING, JSMAGICNUMBER, JSMAJORVERSION, JSMINORVERSION, jshandle::natoms, jshandle::nframes, and jshandle::with_unitcell. Referenced by VMDPLUGIN_init. |
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Definition at line 491 of file jsplugin.c. References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, jshandle::fd, fio_fseek, fio_readv, FIO_SEEK_CUR, molfile_timestep_t::gamma, fio_iovec::iov_base, fio_iovec::iov_len, M_PI_2, MOLFILE_EOF, MOLFILE_SUCCESS, jshandle::reverseendian, swap4_aligned, and swap8_aligned. Referenced by VMDPLUGIN_init. |
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Definition at line 1044 of file jsplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 1039 of file jsplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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Definition at line 961 of file jsplugin.c. References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, jshandle::fd, fio_fwrite, molfile_timestep_t::gamma, M_PI_2, MOLFILE_SUCCESS, jshandle::natoms, and jshandle::nframes. Referenced by VMDPLUGIN_init. |
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Definition at line 1009 of file jsplugin.c. |
1.2.14 written by Dimitri van Heesch,
© 1997-2002