From 0aabec623713ecb393f83f699dec53e74bbff433 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Mon, 3 Jul 2023 15:52:42 +0200
Subject: [PATCH] fix: copy the right matrix
This fixes a problem where ties aren't being resolved correctly
---
modules/mol/alg/pymod/ligand_scoring.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py
index 8297772d5..6b567c358 100644
--- a/modules/mol/alg/pymod/ligand_scoring.py
+++ b/modules/mol/alg/pymod/ligand_scoring.py
@@ -700,7 +700,7 @@ class LigandScorer:
mat2 = np.copy(mat1)
mat2[~np.isnan(mat2)] = np.inf
else:
- mat2 = np.copy(mat1)
+ mat2 = np.copy(mat2)
assignments = []
min_mat1 = LigandScorer._nanmin_nowarn(mat1)
while not np.isnan(min_mat1):
--
GitLab