#include "molfile_plugin.h"
#include "hash.h"
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <ctype.h>
Go to the source code of this file.
Compounds | |
struct | mdfdata |
Defines | |
#define | VMDPLUGIN_STATIC |
#define | LINESIZE 256 |
#define | NAMESIZE 32 |
Functions | |
int | read_mdf_structure_line (molfile_atom_t *atom, const char *line) |
int | get_mdf_bonds (char *dest, const char *src) |
int | count_mdf_bonds (const char *line) |
void * | open_mdf_read (const char *path, const char *filetype, int *natoms) |
int | read_mdf_structure (void *v, int *optflags, molfile_atom_t *atoms) |
int | read_mdf_bonds (void *v, int *nbonds, int **from_data, int **to_data, float **bondorderptr) |
void | close_mdf_read (void *v) |
VMDPLUGIN_API int | VMDPLUGIN_init (void) |
VMDPLUGIN_API int | VMDPLUGIN_fini (void) |
VMDPLUGIN_API int | VMDPLUGIN_register (void *v, vmdplugin_register_cb cb) |
Variables | |
molfile_plugin_t | plugin |
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Definition at line 48 of file mdfplugin.C. Referenced by count_mdf_bonds, get_mdf_bonds, open_mdf_read, read_mdf_bonds, and read_mdf_structure. |
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Definition at line 49 of file mdfplugin.C. Referenced by get_mdf_bonds, and read_mdf_bonds. |
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Definition at line 36 of file mdfplugin.C. |
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Definition at line 361 of file mdfplugin.C. References mdfdata::file, mdfdata::from, and mdfdata::to. Referenced by VMDPLUGIN_register. |
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Definition at line 119 of file mdfplugin.C. References get_mdf_bonds, and LINESIZE. Referenced by read_mdf_bonds. |
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Definition at line 82 of file mdfplugin.C. References LINESIZE, and NAMESIZE. Referenced by count_mdf_bonds, and read_mdf_bonds. |
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Definition at line 138 of file mdfplugin.C. References mdfdata::file, mdfdata::from, LINESIZE, mdfdata::mol_data_location, mdfdata::natoms, mdfdata::nmols, and mdfdata::to. Referenced by VMDPLUGIN_register. |
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Definition at line 240 of file mdfplugin.C. References count_mdf_bonds, mdfdata::file, mdfdata::from, get_mdf_bonds, hash_destroy, HASH_FAIL, hash_init, hash_insert, hash_lookup, LINESIZE, mdfdata::mol_data_location, MOLFILE_ERROR, MOLFILE_SUCCESS, NAMESIZE, mdfdata::natoms, mdfdata::nmols, and mdfdata::to. Referenced by VMDPLUGIN_register. |
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Definition at line 195 of file mdfplugin.C. References molfile_atom_t::chain, mdfdata::file, LINESIZE, mdfdata::mol_data_location, MOLFILE_CHARGE, MOLFILE_ERROR, MOLFILE_OCCUPANCY, MOLFILE_SUCCESS, and read_mdf_structure_line. Referenced by VMDPLUGIN_register. |
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Definition at line 59 of file mdfplugin.C. References molfile_atom_t::chain, molfile_atom_t::charge, molfile_atom_t::name, molfile_atom_t::occupancy, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. Referenced by read_mdf_structure. |
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Definition at line 385 of file mdfplugin.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 384 of file mdfplugin.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 386 of file mdfplugin.C. References molfile_plugin_t::close_file_read, close_mdf_read, molfile_plugin_t::open_file_read, open_mdf_read, molfile_plugin_t::read_bonds, read_mdf_bonds, read_mdf_structure, molfile_plugin_t::read_structure, VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "mdf", "InsightII MDF", "Eamon Caddigan", 0, 2, VMDPLUGIN_THREADSAFE, "mdf", } Definition at line 372 of file mdfplugin.C. |