aquaduct.traj.paths module

union_full(a, b)[source]
union_smartr(a, b)[source]
union(a, b, smartr=True)[source]
glue(a, b)[source]
xor_full(*args, **kwargs)[source]
xor_smartr(*args, **kwargs)[source]
xor(a, b, smartr=True)[source]
left(a, b, smartr=True)[source]
right(a, b, smartr=True)[source]
class PathTypesCodes[source]
path_in_code = 'i'
path_object_code = 'c'
path_out_code = 'o'
path_walk_code = 'w'
class GenericPathTypeCodes[source]
object_name = 'c'
scope_name = 's'
out_name = 'n'
class GenericPaths(id_of_res, name_of_res=None, single_res_selection=None, min_pf=None, max_pf=None)[source]

Bases: object, aquaduct.traj.paths.GenericPathTypeCodes

__init__(id_of_res, name_of_res=None, single_res_selection=None, min_pf=None, max_pf=None)[source]
types
frames
coords
max_frame
min_frame
add_012(os_in_frames)[source]
add_object(frame)[source]
add_scope(frame)[source]
add_type(frame, ftype)[source]
_gpt()[source]
_gpo()[source]
_gpi()[source]
get_paths_in()[source]
get_paths_out()[source]
find_paths(fullonly=False, smartr=True)[source]
find_paths_types(fullonly=False)[source]
get_single_path_types(spath)[source]
barber_with_spheres(spheres)[source]
class SinglePathID(path_id=None, nr=None, name=None)[source]

Bases: object

__init__(path_id=None, nr=None, name=None)[source]
__str__()[source]
__eq__(other)[source]
yield_single_paths(gps, fullonly=None, progress=None, passing=None)[source]
yield_generic_paths(spaths, progress=None)[source]
class MacroMolPath(path_id, paths, types, single_res_selection=None)[source]

Bases: object, aquaduct.traj.paths.PathTypesCodes, aquaduct.traj.inlets.InletTypeCodes

empty_coords = array([], shape=(0, 3), dtype=float64)
__init__(path_id, paths, types, single_res_selection=None)[source]
object_len
is_single()[source]
is_passing()[source]
is_frame_in(frame)[source]
is_frame_object(frame)[source]
is_frame_out(frame)[source]
is_frame_walk(frame)[source]
path_in
path_object
path_out
types_in
types_object
types_out
coords_first_in
paths_first_in
coords_last_out
paths_last_out
coords_filo
get_inlets()[source]
coords_in
coords_object
coords_out
coords
coords_cont
_paths
paths
paths_cont
types
types_cont
gtypes
gtypes_cont
etypes
etypes_cont
size
sizes
begins
ends
has_in
has_object
has_out
get_coords(*args, **kwargs)[source]
_make_smooth_coords(smooth)[source]
get_coords_cont(smooth=None)[source]
get_distance_cont(smooth=None, normalize=False)[source]
get_distance_rev_cont(*args, **kwargs)[source]
get_distance_both_cont(*args, **kwargs)[source]
get_velocity_cont(*args, **kwargs)[source]
get_acceleration_cont(*args, **kwargs)[source]
_MacroMolPath__object_len_calculate()
class SinglePath(path_id, paths, types, single_res_selection=None)[source]

Bases: aquaduct.traj.paths.MacroMolPath

is_single()[source]
is_passing()[source]
class PassingPath(path_id, paths, types, single_res_selection=None)[source]

Bases: aquaduct.traj.paths.MacroMolPath

__init__(path_id, paths, types, single_res_selection=None)[source]
__has_out = None

self.has_in = True self.has_out = True

object_len
has_in
has_out
is_single()[source]
is_passing()[source]
is_frame_walk(frame)[source]
types
gtypes
sizes
_paths
coords
path
paths
coords_first_in
paths_first_in
coords_last_out
paths_last_out
get_coords(smooth=None)[source]
get_inlets()[source]
_PassingPath__object_len_calculate()
class MasterPath(sp)[source]

Bases: aquaduct.traj.paths.MacroMolPath

__init__(sp)[source]
add_width(width)[source]