From 3c1464b08432c8f51ce2978f22a3019e11c689cb Mon Sep 17 00:00:00 2001 From: m1ch4el0 Date: Wed, 25 Oct 2023 13:59:58 +0200 Subject: [PATCH] Closses #1. Divided by zero runtime warning --- evcouplings/visualize/parameters.py | 47 ++++++++++++++--------------- 1 file changed, 22 insertions(+), 25 deletions(-) diff --git a/evcouplings/visualize/parameters.py b/evcouplings/visualize/parameters.py index 2facfc11..46fd569b 100644 --- a/evcouplings/visualize/parameters.py +++ b/evcouplings/visualize/parameters.py @@ -10,9 +10,14 @@ from evcouplings.couplings.pairs import add_mixture_probability -def evzoom_data(model, ec_threshold=0.9, freq_threshold=0.01, - Jij_threshold=10, score="cn", - reorder=None): +def evzoom_data( + model, + ec_threshold=0.9, + freq_threshold=0.01, + Jij_threshold=10, + score="cn", + reorder=None, +): """ Generate data for EVzoom visualization. Use evzoom_json() to get final JSON string to use with EVzoom. @@ -61,7 +66,7 @@ def evzoom_data(model, ec_threshold=0.9, freq_threshold=0.01, ecs = add_mixture_probability(ecs, score=score) ecs_sel = ecs.loc[ecs.probability >= ec_threshold] else: - ecs_sel = ecs.iloc[:int(ec_threshold)] + ecs_sel = ecs.iloc[: int(ec_threshold)] # if cutoff for couplings is given as int, interpret # as percentage of biggest absolute coupling value @@ -71,14 +76,10 @@ def evzoom_data(model, ec_threshold=0.9, freq_threshold=0.01, if reorder is not None: alphabet = np.array(list(reorder)) - alphabet_order = [ - model.alphabet_map[c] for c in reorder - ] + alphabet_order = [model.alphabet_map[c] for c in reorder] else: alphabet = model.alphabet - alphabet_order = sorted( - model.alphabet_map.values() - ) + alphabet_order = sorted(model.alphabet_map.values()) # Map containing sequence and indeces map_ = { @@ -92,21 +93,15 @@ def evzoom_data(model, ec_threshold=0.9, freq_threshold=0.01, for idx, r in ecs_sel.iterrows(): i, j, score_ij = r["i"], r["j"], r[score] Jij = model.Jij(i, j)[alphabet_order, :][:, alphabet_order] - ai_set = np.where( - np.max(np.abs(Jij), axis=1) > Jij_threshold - )[0] - aj_set = np.where( - np.max(np.abs(Jij), axis=0) > Jij_threshold - )[0] + ai_set = np.where(np.max(np.abs(Jij), axis=1) > Jij_threshold)[0] + aj_set = np.where(np.max(np.abs(Jij), axis=0) > Jij_threshold)[0] cur_matrix = [ - [round(Jij[ai, aj], DIGITS) for aj in list(aj_set)] - for ai in list(ai_set) + [round(Jij[ai, aj], DIGITS) for aj in list(aj_set)] for ai in list(ai_set) ] cur_matrix_T = [ - [round(Jij[ai, aj], DIGITS) for ai in list(ai_set)] - for aj in list(aj_set) + [round(Jij[ai, aj], DIGITS) for ai in list(ai_set)] for aj in list(aj_set) ] cur_row = { @@ -134,7 +129,7 @@ def evzoom_data(model, ec_threshold=0.9, freq_threshold=0.01, fi = model.fi() q = model.num_symbols - B = -fi * np.log2(fi) + B = -fi * np.log2(fi, where=fi > 0) B[fi <= 0] = 0 R = np.log2(q) - B.sum(axis=1) @@ -146,10 +141,12 @@ def evzoom_data(model, ec_threshold=0.9, freq_threshold=0.01, symbols = model.alphabet[frequent] fi_row = fi[i, frequent] * R[i] - logo.append([ - {"code": s, "bits": round(float(h), DIGITS_LOGO)} - for s, h in zip(symbols, fi_row) - ]) + logo.append( + [ + {"code": s, "bits": round(float(h), DIGITS_LOGO)} + for s, h in zip(symbols, fi_row) + ] + ) return map_, logo, matrix