Topological Material Analysis 1
Analyse the structures of materials using tools from TDA
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visualisation Namespace Reference

Functions

 get_representative_loops (pandas.DataFrame dgm, R, filt)
 Get representative of each homology class in dimension 1.
 
 get_0_and_1_cycles (loop, filt)
 
 loop_composition (verts, filt, points, atom_types)
 Get the composition of a given representative.
 
 generate_visulisation_df (pandas.DataFrame dgm, R, filt, points, atom_types)
 generate the pandas.DataFrame containing the information about the points so we can display it
 
 get_neighbour_cells (pandas.DataFrame points, list cycle_vertices, filt)
 
 generate_display (pandas.DataFrame points, pandas.DataFrame dgm, int id, filt, neighbours=False)
 Display a representative of a cycle.
 

Function Documentation

◆ generate_display()

visualisation.generate_display ( pandas.DataFrame points,
pandas.DataFrame dgm,
int id,
filt,
neighbours = False )

Display a representative of a cycle.

Parameters
pointspandas.DataFrame of the atoms
dgmpandas.DataFrame of the representatives of cycles
idint corresponding to the id of the cycle you want to visualise
Returns
fig plotly.express figure displaying the ring

◆ generate_visulisation_df()

visualisation.generate_visulisation_df ( pandas.DataFrame dgm,
R,
filt,
points,
atom_types )

generate the pandas.DataFrame containing the information about the points so we can display it

Parameters
dgmpandas.DataFrame of the diagram, with columns birth, death, birth simplex, death simplex, cycle rep

◆ get_0_and_1_cycles()

visualisation.get_0_and_1_cycles ( loop,
filt )

◆ get_neighbour_cells()

visualisation.get_neighbour_cells ( pandas.DataFrame points,
list cycle_vertices,
filt )

◆ get_representative_loops()

visualisation.get_representative_loops ( pandas.DataFrame dgm,
R,
filt )

Get representative of each homology class in dimension 1.

Parameters
dgmpandas.DataFrame containing the diagram and the birth and death simplex id
filtoineus filtration
Returns
dgm pandas.DataFrame with new column cycle rep

◆ loop_composition()

visualisation.loop_composition ( verts,
filt,
points,
atom_types )

Get the composition of a given representative.

Parameters
looplist containing the ids of the edges in the loop
pointspandas.DataFrame of the points (atoms) in the structure
atom_typeslist of the atom types we are considering (restricting to)
Returns
comp dictionary listing the number of atoms of each type in the loop