bond Struct Reference

#include <molecules.h>

Collaboration diagram for bond:

List of all members.

Public Attributes
ensindex	s
	"source" -- index to first atom in bond
ensindex	t
	"target" -- index to the other atom in the bond
double	o
	order of bond
bond_type *	typ
	pointer to type of bond
int	i
	index -- for example as alternative to *typ
char *	D
	free-form description

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Detailed Description

Definition at line 63 of file molecules.h.

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Member Data Documentation

char* bond::D

free-form description

Definition at line 69 of file molecules.h.

int bond::i

index -- for example as alternative to *typ

Definition at line 68 of file molecules.h.

double bond::o

order of bond

Definition at line 66 of file molecules.h.

Referenced by dprint_bond(), dXprint_bond(), and initialize_bond().

ensindex bond::s

"source" -- index to first atom in bond

Definition at line 64 of file molecules.h.

Referenced by dprint_bond(), dXprint_bond(), and initialize_bond().

ensindex bond::t

"target" -- index to the other atom in the bond

Definition at line 65 of file molecules.h.

Referenced by dprint_bond(), dXprint_bond(), and initialize_bond().

bond_type* bond::typ

pointer to type of bond

Definition at line 67 of file molecules.h.

Referenced by deallocateBond().

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

• inc/molecules.h