assignment Struct Reference

#include <modes.h>

Collaboration diagram for assignment:

List of all members.

Public Attributes
int	i
	index
int	n
	index (intended as atom index for per-atom info)
int	loc
	location index (endocyclic, exocyclic H, etc.)
char *	Desc
	free-form description
int	C
	complexity = number of motion types present
int	ns
intset *	s
	plain stretches in mode
int	nb
intset *	b
	plain angle bends in mode
int	nt
intset *	t
	plain torsions in mode
int	nw
intset *	w
	number of plain wags, pointers to locations
int	nrk
intset *	rk
	number of plain rocks, pointers to locations
double	se
double	be
double	te
double	we
double	rke
	these are "extents" for each of the above motions
int	nr
int	ntwo
	numbers of rings or pairs of coupled atoms
ringassign *	r
	ring assignment structures
twoassign *	two
	structures for coupled motions

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Detailed Description

Definition at line 190 of file modes.h.

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Member Data Documentation

intset* assignment::b

plain angle bends in mode

Definition at line 201 of file modes.h.

double assignment::be

Definition at line 208 of file modes.h.

int assignment::C

complexity = number of motion types present

Definition at line 195 of file modes.h.

char* assignment::Desc

free-form description

Definition at line 194 of file modes.h.

int assignment::i

index

Definition at line 191 of file modes.h.

int assignment::loc

location index (endocyclic, exocyclic H, etc.)

Definition at line 193 of file modes.h.

int assignment::n

index (intended as atom index for per-atom info)

Definition at line 192 of file modes.h.

int assignment::nb

Definition at line 200 of file modes.h.

int assignment::nr

Definition at line 210 of file modes.h.

Referenced by deallocateAssignment().

int assignment::nrk

Definition at line 206 of file modes.h.

int assignment::ns

Definition at line 198 of file modes.h.

int assignment::nt

Definition at line 202 of file modes.h.

int assignment::ntwo

numbers of rings or pairs of coupled atoms

Definition at line 210 of file modes.h.

Referenced by deallocateAssignment().

int assignment::nw

Definition at line 204 of file modes.h.

ringassign* assignment::r

ring assignment structures

Definition at line 211 of file modes.h.

intset* assignment::rk

number of plain rocks, pointers to locations

Definition at line 207 of file modes.h.

double assignment::rke

these are "extents" for each of the above motions

Definition at line 208 of file modes.h.

intset* assignment::s

plain stretches in mode

Definition at line 199 of file modes.h.

double assignment::se

Definition at line 208 of file modes.h.

intset* assignment::t

plain torsions in mode

Definition at line 203 of file modes.h.

double assignment::te

Definition at line 208 of file modes.h.

twoassign* assignment::two

structures for coupled motions

Definition at line 212 of file modes.h.

intset* assignment::w

number of plain wags, pointers to locations

Definition at line 205 of file modes.h.

double assignment::we

Definition at line 208 of file modes.h.

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

• inc/modes.h