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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_file *	mf
int	has_velocities
int	readcoordinates

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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.

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

• tprplugin.h

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