coord_3D Struct Reference

#include <geometries.h>

List of all members.

Public Attributes
double	i
double	j
double	k
	Values assigned to the three coordinates.

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Detailed Description

Coordinates

Definition at line 25 of file geometries.h.

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Member Data Documentation

double coord_3D::i

Definition at line 26 of file geometries.h.

Referenced by add_coord(), add_trajcrds_to_prmtop_assembly(), apply_rotation_matrix_to_coord_p(), coord_to_vec(), create_rotation_matrix(), get_alt_rms_mol(), get_alt_rms_res(), get_angle_between_plane_and_vector(), get_assembly_molecule_COM(), get_cartesian_point_from_internal_coords(), get_distance_AB_points(), get_distance_from_point_to_plane(), get_ensemble_COM(), get_geometric_center(), get_geometric_center_dp(), get_molecule_COM(), get_molecule_point_charge_dipole(), get_plane(), get_plane_for_ring(), get_residue_COM(), get_signed_distance_from_point_to_plane(), initialize_assembly(), initialize_atom(), initialize_coord_3D(), initialize_ensemble(), initialize_molecule(), initialize_residue(), load_dlg_mol(), outputAsmblPDB(), outputMolPDB(), pitchAssembly(), pitchMolecule(), rollAssembly(), rollMolecule(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_coord(), set_assembly_molecule_COM(), set_ensemble_COM(), set_molecule_COM(), subtract_coord(), translate_coords_dp_list(), translate_ensemble_by_XYZ(), translate_molecule_by_XYZ(), translate_residue_by_XYZ(), vec_to_coord(), yawAssembly(), yawMolecule(), and zero_coord().

double coord_3D::j

Definition at line 26 of file geometries.h.

Referenced by add_coord(), add_trajcrds_to_prmtop_assembly(), apply_rotation_matrix_to_coord_p(), coord_to_vec(), create_rotation_matrix(), dprint_atom(), dXprint_atom(), get_alt_rms_mol(), get_alt_rms_res(), get_angle_between_plane_and_vector(), get_assembly_molecule_COM(), get_cartesian_point_from_internal_coords(), get_distance_AB_points(), get_distance_from_point_to_plane(), get_ensemble_COM(), get_geometric_center(), get_geometric_center_dp(), get_molecule_COM(), get_molecule_point_charge_dipole(), get_plane(), get_plane_for_ring(), get_residue_COM(), get_signed_distance_from_point_to_plane(), initialize_assembly(), initialize_atom(), initialize_coord_3D(), initialize_ensemble(), initialize_molecule(), initialize_residue(), load_dlg_mol(), outputAsmblPDB(), outputMolPDB(), pitchAssembly(), pitchMolecule(), rollAssembly(), rollMolecule(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_coord(), set_assembly_molecule_COM(), set_ensemble_COM(), set_molecule_COM(), subtract_coord(), translate_coords_dp_list(), translate_ensemble_by_XYZ(), translate_molecule_by_XYZ(), translate_residue_by_XYZ(), vec_to_coord(), yawAssembly(), yawMolecule(), and zero_coord().

double coord_3D::k

Values assigned to the three coordinates.

Definition at line 26 of file geometries.h.

Referenced by add_coord(), add_trajcrds_to_prmtop_assembly(), apply_rotation_matrix_to_coord_p(), coord_to_vec(), create_rotation_matrix(), dprint_atom(), dXprint_atom(), get_alt_rms_mol(), get_alt_rms_res(), get_angle_between_plane_and_vector(), get_assembly_molecule_COM(), get_cartesian_point_from_internal_coords(), get_distance_AB_points(), get_distance_from_point_to_plane(), get_ensemble_COM(), get_geometric_center(), get_geometric_center_dp(), get_molecule_COM(), get_molecule_point_charge_dipole(), get_plane(), get_plane_for_ring(), get_residue_COM(), get_signed_distance_from_point_to_plane(), initialize_assembly(), initialize_atom(), initialize_coord_3D(), initialize_ensemble(), initialize_molecule(), initialize_residue(), load_dlg_mol(), outputAsmblPDB(), outputMolPDB(), pitchAssembly(), pitchMolecule(), rollAssembly(), rollMolecule(), rotate_vector_to_Z_list(), rotate_vector_to_Z_M(), scalarmult_coord(), set_assembly_molecule_COM(), set_ensemble_COM(), set_molecule_COM(), subtract_coord(), translate_coords_dp_list(), translate_ensemble_by_XYZ(), translate_molecule_by_XYZ(), translate_residue_by_XYZ(), vec_to_coord(), yawAssembly(), yawMolecule(), and zero_coord().

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

• inc/geometries.h