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molfile_plugin_t Struct Reference

#include <molfile_plugin.h>

List of all members.


Detailed Description

Main file reader API. Any function in this struct may be NULL if not implemented by the plugin; the application checks this to determine what functionality is present in the plugin.

Definition at line 445 of file molfile_plugin.h.


Public Attributes

void(* close_file_read )(void *)
void(* close_file_write )(void *)
int(* cons_fputs )(const int, const char *)
vmdplugin_HEAD const char * filename_extension
void *(* open_file_read )(const char *filepath, const char *filetype, int *natoms)
void *(* open_file_write )(const char *filepath, const char *filetype, int natoms)
int(* read_angles )(void *handle, int *numangles, int **angles, int **angletypes, int *numangletypes, char ***angletypenames, int *numdihedrals, int **dihedrals, int **dihedraltypes, int *numdihedraltypes, char ***dihedraltypenames, int *numimpropers, int **impropers, int **impropertypes, int *numimpropertypes, char ***impropertypenames, int *numcterms, int **cterms, int *ctermcols, int *ctermrows)
int(* read_bonds )(void *, int *nbonds, int **from, int **to, float **bondorder, int **bondtype, int *nbondtypes, char ***bondtypename)
int(* read_molecule_metadata )(void *, molfile_metadata_t **metadata)
int(* read_next_timestep )(void *, int natoms, molfile_timestep_t *)
int(* read_qm_metadata )(void *, molfile_qm_metadata_t *metadata)
int(* read_qm_rundata )(void *, molfile_qm_t *qmdata)
int(* read_qm_timestep_metadata )(void *, molfile_qm_timestep_metadata_t *)
int(* read_rawgraphics )(void *, int *nelem, const molfile_graphics_t **data)
int(* read_structure )(void *, int *optflags, molfile_atom_t *atoms)
int(* read_timestep )(void *, int natoms, molfile_timestep_t *, molfile_qm_metadata_t *, molfile_qm_timestep_t *)
int(* read_timestep_metadata )(void *, molfile_timestep_metadata_t *)
int(* read_volumetric_data )(void *, int set, float *datablock, float *colorblock)
int(* read_volumetric_metadata )(void *, int *nsets, molfile_volumetric_t **metadata)
int(* write_angles )(void *handle, int numangles, const int *angles, const int *angletypes, int numangletypes, const char **angletypenames, int numdihedrals, const int *dihedrals, const int *dihedraltypes, int numdihedraltypes, const char **dihedraltypenames, int numimpropers, const int *impropers, const int *impropertypes, int numimpropertypes, const char **impropertypenames, int numcterms, const int *cterms, int ctermcols, int ctermrows)
int(* write_bonds )(void *, int nbonds, int *from, int *to, float *bondorder, int *bondtype, int nbondtypes, char **bondtypename)
int(* write_structure )(void *, int optflags, const molfile_atom_t *atoms)
int(* write_timestep )(void *, const molfile_timestep_t *)
int(* write_volumetric_data )(void *, molfile_volumetric_t *metadata, float *datablock, float *colorblock)

The documentation for this struct was generated from the following file:

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