molindex Struct Reference

#include <molecules.h>

List of all members.

Public Attributes
int	i
int	m
int	r
int	a

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Detailed Description

Definition at line 18 of file molecules.h.

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Member Data Documentation

int molindex::a

atom index

Definition at line 22 of file molecules.h.

Referenced by add_assembly_to_ensemble(), copy_moli_to_ensi(), dprint_molbond(), dXprint_molbond(), follow_molecule_atom_molbonds_for_contree(), initialize_molbond(), initialize_molindex(), is_consistent_ensi_moli(), is_consistent_moli_moli(), parse_amber_prmtop(), set_connection_tree_molecule_atoms(), and set_residue_molindexes().

int molindex::i

general index

Definition at line 19 of file molecules.h.

Referenced by add_assembly_to_ensemble(), copy_moli_to_ensi(), find_assembly_top_level_atoms_by_n(), find_molecules_molbond_array(), follow_find_molecule_amber_prmtop_bond_target(), initialize_molbond(), initialize_molindex(), is_consistent_ensi_moli(), is_consistent_moli_moli(), parse_amber_prmtop(), set_assembly_atom_molbonds_from_PDB_CONECT(), and set_residue_molindexes().

int molindex::m

molecule index

Definition at line 20 of file molecules.h.

Referenced by add_assembly_to_ensemble(), copy_moli_to_ensi(), 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(), initialize_molbond(), initialize_molindex(), is_consistent_ensi_moli(), is_consistent_moli_moli(), parse_amber_prmtop(), set_connection_tree_molecule_atoms(), and set_residue_molindexes().

int molindex::r

residue index

Definition at line 21 of file molecules.h.

Referenced by add_assembly_to_ensemble(), copy_moli_to_ensi(), dprint_molbond(), dXprint_molbond(), follow_molecule_atom_molbonds_for_contree(), follow_molecule_residue_nodes_from_bonds(), follow_residue_atom_nodes_from_bonds(), get_molecule_PDB_ATOM_lines(), initialize_molbond(), initialize_molindex(), is_consistent_ensi_moli(), is_consistent_moli_moli(), parse_amber_prmtop(), set_connection_tree_molecule_atoms(), set_molecule_residue_molbonds(), and set_residue_molindexes().

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

• inc/molecules.h