From 07c02c46b943fe9fc908100415ef9fcfe9d82cb6 Mon Sep 17 00:00:00 2001 From: Irfan Alibay Date: Wed, 19 Nov 2025 22:27:34 +0000 Subject: [PATCH] Change default max3d value to 1.0 Update default value for max3d parameter in mapper.py --- src/lomap/gufe_bindings/mapper.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/lomap/gufe_bindings/mapper.py b/src/lomap/gufe_bindings/mapper.py index 1c2b802..b32f957 100644 --- a/src/lomap/gufe_bindings/mapper.py +++ b/src/lomap/gufe_bindings/mapper.py @@ -36,7 +36,7 @@ def __init__(self, *, time: int = 20, threed: bool = True, equivalent mappings and prune the mapping, default True max3d : float, optional maximum discrepancy in Angstroms between atoms before mapping is not - allowed, default 1000.0, which effectively trims no atoms + allowed, default 1.0 element_change: bool, optional whether to allow element changes in the mappings, default True seed: str, optional