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xsf_t Struct Reference

List of all members.

Public Attributes

FILE * fd
int nvolsets
int numatoms
int animsteps
int numsteps
bool coord
char * file_name
xsf_keyword_t pbctype
molfile_volumetric_tvol
int numvolmeta
float origin [3]
float rotmat [3][3]
float invmat [3][3]
xsf_box box

Member Data Documentation

int xsf_t::animsteps
 

Definition at line 119 of file xsfplugin.C.

xsf_box xsf_t::box
 

Definition at line 129 of file xsfplugin.C.

Referenced by read_xsf_structure, and read_xsf_timestep.

bool xsf_t::coord
 

Definition at line 121 of file xsfplugin.C.

Referenced by open_xsf_read.

FILE* xsf_t::fd
 

Definition at line 116 of file xsfplugin.C.

Referenced by close_xsf_read, open_xsf_read, read_xsf_data, read_xsf_structure, and read_xsf_timestep.

char* xsf_t::file_name
 

Definition at line 122 of file xsfplugin.C.

Referenced by close_xsf_read, open_xsf_read, read_xsf_structure, and read_xsf_timestep.

float xsf_t::invmat[3][3]
 

Definition at line 128 of file xsfplugin.C.

Referenced by read_xsf_structure, read_xsf_timestep, and xsf_buildinvmat.

int xsf_t::numatoms
 

Definition at line 118 of file xsfplugin.C.

Referenced by open_xsf_read, and read_xsf_structure.

int xsf_t::numsteps
 

Definition at line 120 of file xsfplugin.C.

Referenced by open_xsf_read.

int xsf_t::numvolmeta
 

Definition at line 125 of file xsfplugin.C.

Referenced by open_xsf_read.

int xsf_t::nvolsets
 

Definition at line 117 of file xsfplugin.C.

Referenced by open_xsf_read, and read_xsf_metadata.

float xsf_t::origin[3]
 

Definition at line 126 of file xsfplugin.C.

Referenced by open_xsf_read, and read_xsf_timestep.

xsf_keyword_t xsf_t::pbctype
 

Definition at line 123 of file xsfplugin.C.

Referenced by open_xsf_read, and read_xsf_timestep.

float xsf_t::rotmat[3][3]
 

Definition at line 127 of file xsfplugin.C.

Referenced by open_xsf_read, read_xsf_structure, read_xsf_timestep, and xsf_buildrotmat.

molfile_volumetric_t* xsf_t::vol
 

Definition at line 124 of file xsfplugin.C.

Referenced by close_xsf_read, open_xsf_read, read_xsf_data, and read_xsf_metadata.


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