Topological Material Analysis 0.5
Analyse the structures of materials using tools from TDA
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reeb_aux Namespace Reference

Functions

 thread_safe_numba_call (func, *args, **kwargs)
 safe_dist_from_pts_periodic_boundaries_numba (A_, B_, M, m, axes, dim=3)
 safe_point_cloud_frechet_mean_numba (D, M, m, subsample=10, tol=0.001, maxiter=50)
 safe_flow_to_fmean_dist (flow, backbone, M, m)
 circular_max_flow (reeb)
 sphere_sample (n=100, seed=0)
 sample_matrix_grid (n=100, seed=0)
 canonical_matrix_grid ()
 gramschmidt (A)
 make_cubic_to_res (cubic_grid, res_grid, nx, ny, nz)
 make_graph (grid, res_grid, nx, ny, nz, dim, M, m)
 make_graph_fast (grid, res_idxs, res_to_grid, grid_to_res, grid_to_cubic, cubic_to_grid, nx, ny, nz, dim, M, m)
 match_grids (new_grid, old_grid)
 match_graphs (old_to_new, old_graph)
 dist_from_pts_periodic_boundaries_pool (LIST)
 numba_dist (a, b)
 dist_from_pts_periodic_boundaries_numba (A_, B_, M, m, axes, dim=3)
 numba_dist_print (a, b)
 dist_from_pts_periodic_boundaries_numba_print (A_, B_, M, m, axes, dim=3)
 point_cloud_frechet_mean_numba (D, M, m, subsample=10, tol=0.001, maxiter=50)
 procustes_mean (p, D, M, m, tol=0.001, maxiter=50)
 frechet_mean_numba (D, initial_points, M, m, tol=0.001, maxiter=50)
 point_cloud_frechet_mean (D, M, m, subsample=10, tol=0.0001, maxiter=50)
 frechet_mean (D, initial_points, M, m, tol=0.0001, maxiter=50)
 estimate_radius (inputfile, backbone_atoms, flow_atoms, n_tmp_grid)
 Li_to_backbone_dist (Li, P, S, M, m)
 flow_to_fmean_dist (flow, backbone, M, m)
 preprocess_ions (fmean, backbone_t, ions, M, m)
 preprocess_PATHS (fmean, BACKBONE, PATHS, M, m)
 make_neigh (grid, p_graph, i_graph, f)
 make_neigh_ (grid, p_graph, i_graph, f)
 connect_lvl_sets_aux (i, n_c, C, grid, lvl_to_grid, REEB_GRAPH, norm, count)

Variables

 _numba_lock = threading.Lock()

Function Documentation

◆ canonical_matrix_grid()

reeb_aux.canonical_matrix_grid ( )

◆ circular_max_flow()

reeb_aux.circular_max_flow ( reeb)

◆ connect_lvl_sets_aux()

reeb_aux.connect_lvl_sets_aux ( i,
n_c,
C,
grid,
lvl_to_grid,
REEB_GRAPH,
norm,
count )

◆ dist_from_pts_periodic_boundaries_numba()

reeb_aux.dist_from_pts_periodic_boundaries_numba ( A_,
B_,
M,
m,
axes,
dim = 3 )
A,B -> array of pts (npts,dim), calcolo distanza d(a,b) per ogni a in A e b in B
M -> array with upper bounds of the box (dim,)
m -> array with lower bound of the box (dim,)
axes -> array with the axes in which the boundary condition is applied
dim -> dimension of the dataset

◆ dist_from_pts_periodic_boundaries_numba_print()

reeb_aux.dist_from_pts_periodic_boundaries_numba_print ( A_,
B_,
M,
m,
axes,
dim = 3 )
A,B -> array of pts (npts,dim), calcolo distanza d(a,b) per ogni a in A e b in B
M -> array with upper bounds of the box (dim,)
m -> array with lower bound of the box (dim,)
axes -> array with the axes in which the boundary condition is applied
dim -> dimension of the dataset

◆ dist_from_pts_periodic_boundaries_pool()

reeb_aux.dist_from_pts_periodic_boundaries_pool ( LIST)

◆ estimate_radius()

reeb_aux.estimate_radius ( inputfile,
backbone_atoms,
flow_atoms,
n_tmp_grid )

◆ flow_to_fmean_dist()

reeb_aux.flow_to_fmean_dist ( flow,
backbone,
M,
m )

◆ frechet_mean()

reeb_aux.frechet_mean ( D,
initial_points,
M,
m,
tol = 0.0001,
maxiter = 50 )

◆ frechet_mean_numba()

reeb_aux.frechet_mean_numba ( D,
initial_points,
M,
m,
tol = 0.001,
maxiter = 50 )

◆ gramschmidt()

reeb_aux.gramschmidt ( A)
Applies the Gram-Schmidt method to A
and returns Q and R, so Q*R = A.

◆ Li_to_backbone_dist()

reeb_aux.Li_to_backbone_dist ( Li,
P,
S,
M,
m )

◆ make_cubic_to_res()

reeb_aux.make_cubic_to_res ( cubic_grid,
res_grid,
nx,
ny,
nz )

◆ make_graph()

reeb_aux.make_graph ( grid,
res_grid,
nx,
ny,
nz,
dim,
M,
m )

◆ make_graph_fast()

reeb_aux.make_graph_fast ( grid,
res_idxs,
res_to_grid,
grid_to_res,
grid_to_cubic,
cubic_to_grid,
nx,
ny,
nz,
dim,
M,
m )

◆ make_neigh()

reeb_aux.make_neigh ( grid,
p_graph,
i_graph,
f )

◆ make_neigh_()

reeb_aux.make_neigh_ ( grid,
p_graph,
i_graph,
f )

◆ match_graphs()

reeb_aux.match_graphs ( old_to_new,
old_graph )

◆ match_grids()

reeb_aux.match_grids ( new_grid,
old_grid )

◆ numba_dist()

reeb_aux.numba_dist ( a,
b )
A,B -> array of pts (npts,dim), calcolo distanza d(a_i,b_j) per ogni a_i in a e b_j in b

◆ numba_dist_print()

reeb_aux.numba_dist_print ( a,
b )
A,B -> array of pts (npts,dim), calcolo distanza d(a_i,b_j) per ogni a_i in a e b_j in b

◆ point_cloud_frechet_mean()

reeb_aux.point_cloud_frechet_mean ( D,
M,
m,
subsample = 10,
tol = 0.0001,
maxiter = 50 )

◆ point_cloud_frechet_mean_numba()

reeb_aux.point_cloud_frechet_mean_numba ( D,
M,
m,
subsample = 10,
tol = 0.001,
maxiter = 50 )

◆ preprocess_ions()

reeb_aux.preprocess_ions ( fmean,
backbone_t,
ions,
M,
m )

◆ preprocess_PATHS()

reeb_aux.preprocess_PATHS ( fmean,
BACKBONE,
PATHS,
M,
m )

◆ procustes_mean()

reeb_aux.procustes_mean ( p,
D,
M,
m,
tol = 0.001,
maxiter = 50 )

◆ safe_dist_from_pts_periodic_boundaries_numba()

reeb_aux.safe_dist_from_pts_periodic_boundaries_numba ( A_,
B_,
M,
m,
axes,
dim = 3 )
Thread-safe wrapper for dist_from_pts_periodic_boundaries_numba

◆ safe_flow_to_fmean_dist()

reeb_aux.safe_flow_to_fmean_dist ( flow,
backbone,
M,
m )
Thread-safe wrapper for flow_to_fmean_dist

◆ safe_point_cloud_frechet_mean_numba()

reeb_aux.safe_point_cloud_frechet_mean_numba ( D,
M,
m,
subsample = 10,
tol = 0.001,
maxiter = 50 )
Thread-safe wrapper for point_cloud_frechet_mean_numba

◆ sample_matrix_grid()

reeb_aux.sample_matrix_grid ( n = 100,
seed = 0 )

◆ sphere_sample()

reeb_aux.sphere_sample ( n = 100,
seed = 0 )

◆ thread_safe_numba_call()

reeb_aux.thread_safe_numba_call ( func,
* args,
** kwargs )
Wrapper to ensure thread-safe execution of Numba functions

Variable Documentation

◆ _numba_lock

reeb_aux._numba_lock = threading.Lock()
protected