molbond Struct Reference

#include <molecules.h>

Collaboration diagram for molbond:

List of all members.

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

---

Detailed Description

Definition at line 75 of file molecules.h.

---

Member Data Documentation

char* molbond::D

free-form description

Definition at line 81 of file molecules.h.

Referenced by parse_amber_prmtop().

int molbond::i

index -- for example as alternative to *typ

Definition at line 80 of file molecules.h.

Referenced by find_molecules_molbond_array(), follow_find_molecule_amber_prmtop_bond_target(), follow_molecule_residue_nodes_from_bonds(), is_consistent_molbond_molbond(), is_consistent_molbond_molbond_inverse(), and parse_amber_prmtop().

double molbond::o

order

Definition at line 78 of file molecules.h.

Referenced by dprint_molbond(), dXprint_molbond(), initialize_molbond(), is_consistent_molbond_molbond(), and is_consistent_molbond_molbond_inverse().

molindex molbond::s

source atom in the bond

Definition at line 76 of file molecules.h.

Referenced by dprint_molbond(), dXprint_molbond(), find_molecules_molbond_array(), follow_find_molecule_amber_prmtop_bond_target(), initialize_molbond(), is_consistent_molbond_molbond(), is_consistent_molbond_molbond_inverse(), parse_amber_prmtop(), and set_assembly_atom_molbonds_from_PDB_CONECT().

molindex molbond::t

target atom in the bond

Definition at line 77 of file molecules.h.

Referenced by dprint_molbond(), dXprint_molbond(), find_molecules_molbond_array(), follow_find_molecule_amber_prmtop_bond_target(), follow_molecule_atom_molbonds_for_contree(), follow_molecule_atom_nodes_from_bonds(), follow_molecule_residue_nodes_from_bonds(), follow_residue_atom_nodes_from_bonds(), get_molecule_PDB_ATOM_lines(), initialize_molbond(), is_consistent_molbond_molbond(), is_consistent_molbond_molbond_inverse(), parse_amber_prmtop(), set_assembly_atom_molbonds_from_PDB_CONECT(), and set_molecule_residue_molbonds().

bond_type* molbond::typ

pointer to type of bond

Definition at line 79 of file molecules.h.

Referenced by deallocateMolbond(), is_consistent_molbond_molbond(), and is_consistent_molbond_molbond_inverse().

---

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

• inc/molecules.h