From f55b5ad7826793c20d93a73fab01d028fbb44b00 Mon Sep 17 00:00:00 2001
From: Alvin Noe Ladines <ladinesalvinnoe@gmail.com>
Date: Tue, 26 Jan 2021 18:21:19 +0100
Subject: [PATCH] Added error handler for calculate_bytes
---
nomad_dos_fingerprints/DOSfingerprint.py | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/nomad_dos_fingerprints/DOSfingerprint.py b/nomad_dos_fingerprints/DOSfingerprint.py
index b102711..24f3b62 100644
--- a/nomad_dos_fingerprints/DOSfingerprint.py
+++ b/nomad_dos_fingerprints/DOSfingerprint.py
@@ -88,7 +88,10 @@ class DOSFingerprint():
"""
grid_array = grid.grid()
# cut the energy and dos to grid size
- energy, dos = np.transpose([(e,d) for e,d in zip(energy, dos) if (e >= grid_array[0][0] and e <= grid_array[-1][0])])
+ energy_dos = np.transpose([(e,d) for e,d in zip(energy, dos) if (e >= grid_array[0][0] and e <= grid_array[-1][0])])
+ if len(energy_dos) != 2:
+ return [0, 0], ''
+ energy, dos = energy_dos
# calculate fingerprint
bin_fp = ''
grid_index = 0
--
GitLab