boxinfo Struct Reference

#include <geometries.h>

Collaboration diagram for boxinfo:

List of all members.

Public Attributes
char *	STYPE
char *	GTYPE
	Types relevant to simulations (e.g., periodic) and to basic geometry (e.g., cubic)
int	nC
	Number of coordinates defined.
coord_nD *	C
	nC coordinates (the dimensions are defined inside the structures, and might all be different)
int	nCD
	Number of descriptions defined.
char **	CD
	nCD descriptions of the coordinate relevances (e.g, "lower corner" or "A in z=f(A)").

---

Detailed Description

Special Objects

Definition at line 63 of file geometries.h.

---

Member Data Documentation

coord_nD* boxinfo::C

nC coordinates (the dimensions are defined inside the structures, and might all be different)

Definition at line 66 of file geometries.h.

Referenced by add_trajcrds_to_prmtop_assembly(), load_dlg_mol(), and parse_amber_prmtop().

char** boxinfo::CD

nCD descriptions of the coordinate relevances (e.g, "lower corner" or "A in z=f(A)").

Definition at line 68 of file geometries.h.

Referenced by load_dlg_mol(), and parse_amber_prmtop().

char * boxinfo::GTYPE

Types relevant to simulations (e.g., periodic) and to basic geometry (e.g., cubic)

Definition at line 64 of file geometries.h.

Referenced by load_dlg_mol(), and parse_amber_prmtop().

int boxinfo::nC

Number of coordinates defined.

Definition at line 65 of file geometries.h.

Referenced by add_trajcrds_to_prmtop_assembly(), deallocateBoxinfo(), load_dlg_mol(), and parse_amber_prmtop().

int boxinfo::nCD

Number of descriptions defined.

Definition at line 67 of file geometries.h.

Referenced by deallocateBoxinfo(), load_dlg_mol(), and parse_amber_prmtop().

char* boxinfo::STYPE

Definition at line 64 of file geometries.h.

Referenced by load_dlg_mol(), and parse_amber_prmtop().

---

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

• inc/geometries.h