ensindex Struct Reference

#include <molecules.h>

List of all members.

Public Attributes
int	i
int	E
int	A
int	m
int	r
int	a

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Detailed Description

Definition at line 24 of file molecules.h.

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Member Data Documentation

int ensindex::A

assembly index

Definition at line 27 of file molecules.h.

Referenced by copy_moli_to_ensi(), initialize_ensindex(), is_consistent_ensi_ensi(), and parse_amber_prmtop().

int ensindex::a

atom index

Definition at line 30 of file molecules.h.

Referenced by copy_moli_to_ensi(), dprint_bond(), dXprint_bond(), follow_molecule_atom_nodes_from_bonds(), follow_residue_atom_nodes_from_bonds(), initialize_bond(), initialize_ensindex(), is_consistent_ensi_ensi(), is_consistent_ensi_moli(), and parse_amber_prmtop().

int ensindex::E

ensemble index

Definition at line 26 of file molecules.h.

Referenced by copy_moli_to_ensi(), initialize_ensindex(), is_consistent_ensi_ensi(), and parse_amber_prmtop().

int ensindex::i

general index

Definition at line 25 of file molecules.h.

Referenced by copy_moli_to_ensi(), follow_molecule_atom_molbonds_for_contree(), follow_molecule_atom_nodes_from_bonds(), follow_residue_atom_nodes_from_bonds(), initialize_ensindex(), is_consistent_ensi_ensi(), is_consistent_ensi_moli(), set_molecule_atom_nodes_from_bonds(), set_molecule_residue_nodes_from_bonds(), and set_residue_atom_nodes_from_bonds().

int ensindex::m

molecule index

Definition at line 28 of file molecules.h.

Referenced by copy_moli_to_ensi(), dprint_bond(), dXprint_bond(), initialize_bond(), initialize_ensindex(), is_consistent_ensi_ensi(), is_consistent_ensi_moli(), and parse_amber_prmtop().

int ensindex::r

residue index

Definition at line 29 of file molecules.h.

Referenced by copy_moli_to_ensi(), dprint_bond(), dXprint_bond(), follow_molecule_atom_nodes_from_bonds(), initialize_bond(), initialize_ensindex(), is_consistent_ensi_ensi(), is_consistent_ensi_moli(), and parse_amber_prmtop().

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

• inc/molecules.h