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tprdata Struct Reference

#include <tprplugin.h>

List of all members.

Public Attributes

int precision
int version
int wversion
int natoms
int ngtc
float boxdims [9]
char * symtab
int symtablen
int nmoltypes
int nmolblock
int * atomsinmol
int * resinmol
int * molnames
float ** charges
float ** masses
int ** resids
int ** ptypes
unsigned short ** types
int ** atomnameids
int ** atomtypeids
int ** resnames
int ** atomicnumbers
int ** interactionlist [F_NRE]
int * nr [F_NRE]
int * molbtype
int * molbnmol
int * molbnatoms
md_filemf
int has_velocities
int readcoordinates


Member Data Documentation

int ** tprdata::atomicnumbers
 

Definition at line 129 of file tprplugin.h.

Referenced by close_tpr_read, and readtprAfterPrecision.

int** tprdata::atomnameids
 

Definition at line 129 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

int* tprdata::atomsinmol
 

Definition at line 124 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_angles, read_tpr_bonds, and readtprAfterPrecision.

int ** tprdata::atomtypeids
 

Definition at line 129 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

float tprdata::boxdims[9]
 

Definition at line 120 of file tprplugin.h.

Referenced by read_tpr_timestep, and readtprAfterPrecision.

float** tprdata::charges
 

Definition at line 126 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

int tprdata::has_velocities
 

Definition at line 134 of file tprplugin.h.

Referenced by read_tpr_timestep, read_tpr_timestep_metadata, and readtprAfterPrecision.

int** tprdata::interactionlist[F_NRE]
 

Definition at line 130 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_angles, read_tpr_bonds, and readtprAfterPrecision.

float ** tprdata::masses
 

Definition at line 126 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

md_file* tprdata::mf
 

Definition at line 133 of file tprplugin.h.

Referenced by close_tpr_read, open_tpr_read, read_tpr_timestep, and readtprAfterPrecision.

int * tprdata::molbnatoms
 

Definition at line 132 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

int * tprdata::molbnmol
 

Definition at line 132 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_angles, read_tpr_bonds, read_tpr_structure, and readtprAfterPrecision.

int* tprdata::molbtype
 

Definition at line 132 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_angles, read_tpr_bonds, read_tpr_structure, and readtprAfterPrecision.

int* tprdata::molnames
 

Definition at line 125 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

int tprdata::natoms
 

Definition at line 119 of file tprplugin.h.

Referenced by open_tpr_read, read_tpr_timestep, and readtprAfterPrecision.

int tprdata::ngtc
 

Definition at line 119 of file tprplugin.h.

Referenced by readtprAfterPrecision.

int tprdata::nmolblock
 

Definition at line 123 of file tprplugin.h.

Referenced by read_tpr_angles, read_tpr_bonds, read_tpr_structure, and readtprAfterPrecision.

int tprdata::nmoltypes
 

Definition at line 123 of file tprplugin.h.

Referenced by close_tpr_read, and readtprAfterPrecision.

int* tprdata::nr[F_NRE]
 

Definition at line 131 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_angles, read_tpr_bonds, and readtprAfterPrecision.

int tprdata::precision
 

Definition at line 116 of file tprplugin.h.

int ** tprdata::ptypes
 

Definition at line 127 of file tprplugin.h.

Referenced by close_tpr_read, and readtprAfterPrecision.

int tprdata::readcoordinates
 

Definition at line 135 of file tprplugin.h.

Referenced by read_tpr_timestep, and readtprAfterPrecision.

int** tprdata::resids
 

Definition at line 127 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

int * tprdata::resinmol
 

Definition at line 124 of file tprplugin.h.

Referenced by close_tpr_read, and readtprAfterPrecision.

int ** tprdata::resnames
 

Definition at line 129 of file tprplugin.h.

Referenced by close_tpr_read, read_tpr_structure, and readtprAfterPrecision.

char* tprdata::symtab
 

Definition at line 121 of file tprplugin.h.

Referenced by close_tpr_read, read_groups, read_tpr_structure, and readtprAfterPrecision.

int tprdata::symtablen
 

Definition at line 123 of file tprplugin.h.

Referenced by readtprAfterPrecision.

unsigned short** tprdata::types
 

Definition at line 128 of file tprplugin.h.

Referenced by close_tpr_read, and readtprAfterPrecision.

int tprdata::version
 

Definition at line 117 of file tprplugin.h.

Referenced by readtprAfterPrecision.

int tprdata::wversion
 

Definition at line 118 of file tprplugin.h.

Referenced by read_groups, and readtprAfterPrecision.


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